1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine

C180H198N76O6S6 — CID 160557967

IUPAC1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine
SMILESC1=CN=C(CN(CC2=NC=CC2)CC2=NC=CC2)C1.Cn1ccnc1CN(Cc1nccn1C)Cc1nccn1C.Cn1cnc(CN(Cc2cn(C)cn2)Cc2cn(C)cn2)c1.c1cc(CN(Cc2ccncn2)Cc2ccncn2)ncn1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1cnc(CN(Cc2cnccn2)Cc2cnccn2)cn1.c1cnc(CN(Cc2ncccn2)Cc2ncccn2)nc1.c1coc(CN(Cc2ncco2)Cc2ncco2)n1.c1csc(CN(Cc2nccs2)Cc2nccs2)n1.c1nc(CN(Cc2cocn2)Cc2cocn2)co1.c1nc(CN(Cc2cscn2)Cc2cscn2)cs1.c1ncc(CN(Cc2cnc[nH]2)Cc2cnc[nH]2)[nH]1.c1ncnc(CN(Cc2ncncn2)Cc2ncncn2)n1
InChIInChI=1S/C18H18N4.2C15H21N7.3C15H15N7.C15H18N4.C12H12N10.C12H15N7.2C12H12N4O3.2C12H12N4S3/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-19-4-13(16-10-19)7-22(8-14-5-20(2)11-17-14)9-15-6-21(3)12-18-15;1-19-7-4-16-13(19)10-22(11-14-17-5-8-20(14)2)12-15-18-6-9-21(15)3;1-4-19-13(7-16-1)10-22(11-14-8-17-2-5-20-14)12-15-9-18-3-6-21-15;1-4-16-10-19-13(1)7-22(8-14-2-5-17-11-20-14)9-15-3-6-18-12-21-15;1-4-16-13(17-5-1)10-22(11-14-18-6-2-7-19-14)12-15-20-8-3-9-21-15;1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15;1(10-16-4-13-5-17-10)22(2-11-18-6-14-7-19-11)3-12-20-8-15-9-21-12;1-10(16-7-13-1)4-19(5-11-2-14-8-17-11)6-12-3-15-9-18-12;1(10-4-17-7-13-10)16(2-11-5-18-8-14-11)3-12-6-19-9-15-12;1-4-17-10(13-1)7-16(8-11-14-2-5-18-11)9-12-15-3-6-19-12;1(10-4-17-7-13-10)16(2-11-5-18-8-14-11)3-12-6-19-9-15-12;1-4-17-10(13-1)7-16(8-11-14-2-5-18-11)9-12-15-3-6-19-12/h1-12H,13-15H2;4-6,10-12H,7-9H2,1-3H3;4-9H,10-12H2,1-3H3;1-9H,10-12H2;1-6,10-12H,7-9H2;1-9H,10-12H2;1-3,7-9H,4-6,10-12H2;4-9H,1-3H2;1-3,7-9H,4-6H2,(H,13,16)(H,14,17)(H,15,18);4-9H,1-3H2;1-6H,7-9H2;4-9H,1-3H2;1-6H,7-9H2
InChIKeyQYXZIVUEFPDXNN-UHFFFAOYSA-N
MW3714.49 g/mol
LogP22.12
Rot. Bonds78

About 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine

1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine (PubChem CID 160557967) has the molecular formula C180H198N76O6S6 and a molecular weight of 3714.49 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine
PubChem CID160557967
Molecular FormulaC180H198N76O6S6
Molecular Weight3714.49 g/mol
Exact Mass3711.58
IUPAC Name1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine
SMILESC1=CN=C(CN(CC2=NC=CC2)CC2=NC=CC2)C1.Cn1ccnc1CN(Cc1nccn1C)Cc1nccn1C.Cn1cnc(CN(Cc2cn(C)cn2)Cc2cn(C)cn2)c1.c1cc(CN(Cc2ccncn2)Cc2ccncn2)ncn1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1cnc(CN(Cc2cnccn2)Cc2cnccn2)cn1.c1cnc(CN(Cc2ncccn2)Cc2ncccn2)nc1.c1coc(CN(Cc2ncco2)Cc2ncco2)n1.c1csc(CN(Cc2nccs2)Cc2nccs2)n1.c1nc(CN(Cc2cocn2)Cc2cocn2)co1.c1nc(CN(Cc2cscn2)Cc2cscn2)cs1.c1ncc(CN(Cc2cnc[nH]2)Cc2cnc[nH]2)[nH]1.c1ncnc(CN(Cc2ncncn2)Cc2ncncn2)n1
InChIInChI=1S/C18H18N4.2C15H21N7.3C15H15N7.C15H18N4.C12H12N10.C12H15N7.2C12H12N4O3.2C12H12N4S3/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-19-4-13(16-10-19)7-22(8-14-5-20(2)11-17-14)9-15-6-21(3)12-18-15;1-19-7-4-16-13(19)10-22(11-14-17-5-8-20(14)2)12-15-18-6-9-21(15)3;1-4-19-13(7-16-1)10-22(11-14-8-17-2-5-20-14)12-15-9-18-3-6-21-15;1-4-16-10-19-13(1)7-22(8-14-2-5-17-11-20-14)9-15-3-6-18-12-21-15;1-4-16-13(17-5-1)10-22(11-14-18-6-2-7-19-14)12-15-20-8-3-9-21-15;1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15;1(10-16-4-13-5-17-10)22(2-11-18-6-14-7-19-11)3-12-20-8-15-9-21-12;1-10(16-7-13-1)4-19(5-11-2-14-8-17-11)6-12-3-15-9-18-12;1(10-4-17-7-13-10)16(2-11-5-18-8-14-11)3-12-6-19-9-15-12;1-4-17-10(13-1)7-16(8-11-14-2-5-18-11)9-12-15-3-6-19-12;1(10-4-17-7-13-10)16(2-11-5-18-8-14-11)3-12-6-19-9-15-12;1-4-17-10(13-1)7-16(8-11-14-2-5-18-11)9-12-15-3-6-19-12/h1-12H,13-15H2;4-6,10-12H,7-9H2,1-3H3;4-9H,10-12H2,1-3H3;1-9H,10-12H2;1-6,10-12H,7-9H2;1-9H,10-12H2;1-3,7-9H,4-6,10-12H2;4-9H,1-3H2;1-3,7-9H,4-6H2,(H,13,16)(H,14,17)(H,15,18);4-9H,1-3H2;1-6H,7-9H2;4-9H,1-3H2;1-6H,7-9H2
InChIKeyQYXZIVUEFPDXNN-UHFFFAOYSA-N
XLogP22.12
TPSA892.38 Ų
H-Bond Donors3
H-Bond Acceptors85
Rotatable Bonds78
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003714.49
LogP ≤ 522.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1085

Analyze 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine with MolForge

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Related Compounds

3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine
CID 157790631
3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal
CID 159380635
3,3-difluoro-1-methylpyrrolidine;1,3-dimethylazetidine;1,4-dimethylcyclohexane;1,2-dimethylimidazole;1,5-dimethylimidazole;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrole;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;2,4-dimethyl-1,3-thiazole;3-fluoro-1-methylpyrrolidine;1-methylazetidine;1-methylimidazole;2-methyl-1H-imidazole;4-methylmorpholine;2-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyridine;4-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;toluene;N,N,4-trimethylcyclohexan-1-amine;2,4,6-trimethylpyridine;1,3,3-trimethylpyrrolidine
CID 160631338
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
1-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]piperidine-2,6-dione;1-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylpiperidine-2,6-dione;1-[2-(1H-imidazol-5-yl)ethyl]-4,4-dimethylpiperidine-2,6-dione;1-[2-(1H-imidazol-5-yl)ethyl]-4-methylpiperidine-2,6-dione;1-(3-imidazol-1-ylpropyl)piperidine-2,6-dione;1-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidine-2,6-dione;1-[2-(1-methylpyrrol-2-yl)ethyl]piperidine-2,6-dione;1-[2-(1,2,5-oxadiazol-3-yl)ethyl]piperidine-2,6-dione;1-[2-(1,3-oxazol-2-yl)ethyl]piperidine-2,6-dione;1-(2-pyrrolidin-1-ylethyl)piperidine-2,6-dione;1-(2-pyrrolidin-2-ylethyl)piperidine-2,6-dione;1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione;1-[2-(1,2-thiazol-5-yl)ethyl]piperidine-2,6-dione;1-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione;1-(2-thiophen-3-ylethyl)piperidine-2,6-dione
CID 157305776
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201
bis(3-tert-butylfuran);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 157435254
1-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]piperidine-2,6-dione;1-[2-(1H-imidazol-5-yl)ethyl]-4,4-dimethylpiperidine-2,6-dione;1-[2-(1H-imidazol-5-yl)ethyl]-4-methylpiperidine-2,6-dione;1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione;1-[2-(1-methylpyrrol-2-yl)ethyl]piperidine-2,6-dione;1-[2-(1,2,5-oxadiazol-3-yl)ethyl]piperidine-2,6-dione;1-[2-(1,3-oxazol-2-yl)ethyl]piperidine-2,6-dione;1-(2-pyrrolidin-2-ylethyl)piperidine-2,6-dione;1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione;1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione;1-[2-(1,2-thiazol-5-yl)ethyl]piperidine-2,6-dione;1-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2,6-dione;1-(2-thiophen-3-ylethyl)piperidine-2,6-dione
CID 157438778
Ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157552958
1,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,3-dimethyl-2-propan-2-yl-4,5-dihydroimidazol-1-ium;1-methyl-2-propan-2-yl-4,5-dihydroimidazole;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-methyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;1-methyl-2-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole
CID 157636290
benzene;2-tert-butyl-3,4-dihydro-2H-pyran;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;bis(1-tert-butylpyrrole);bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);methane;2-methylpropane;pyrazine;pyridazine;pyridine;pyrimidine;2H-triazole
CID 157671188

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine (CID 160557967) is 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine is C1=CN=C(CN(CC2=NC=CC2)CC2=NC=CC2)C1.Cn1ccnc1CN(Cc1nccn1C)Cc1nccn1C.Cn1cnc(CN(Cc2cn(C)cn2)Cc2cn(C)cn2)c1.c1cc(CN(Cc2ccncn2)Cc2ccncn2)ncn1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1cnc(CN(Cc2cnccn2)Cc2cnccn2)cn1.c1cnc(CN(Cc2ncccn2)Cc2ncccn2)nc1.c1coc(CN(Cc2ncco2)Cc2ncco2)n1.c1csc(CN(Cc2nccs2)Cc2nccs2)n1.c1nc(CN(Cc2cocn2)Cc2cocn2)co1.c1nc(CN(Cc2cscn2)Cc2cscn2)cs1.c1ncc(CN(Cc2cnc[nH]2)Cc2cnc[nH]2)[nH]1.c1ncnc(CN(Cc2ncncn2)Cc2ncncn2)n1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine?
The InChIKey is QYXZIVUEFPDXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4.2C15H21N7.3C15H15N7.C15H18N4.C12H12N10.C12H15N7.2C12H12N4O3.2C12H12N4S3/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-19-4-13(16-10-19)7-22(8-14-5-20(2)11-17-14)9-15-6-21(3)12-18-15;1-19-7-4-16-13(19)10-22(11-14-17-5-8-20(14)2)12-15-18-6-9-21(15)3;1-4-19-13(7-16-1)10-22(11-14-8-17-2-5-20-14)12-15-9-18-3-6-21-15;1-4-16-10-19-13(1)7-22(8-14-2-5-17-11-20-14)9-15-3-6-18-12-21-15;1-4-16-13(17-5-1)10-22(11-14-18-6-2-7-19-14)12-15-20-8-3-9-21-15;1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15;1(10-16-4-13-5-17-10)22(2-11-18-6-14-7-19-11)3-12-20-8-15-9-21-12;1-10(16-7-13-1)4-19(5-11-2-14-8-17-11)6-12-3-15-9-18-12;1(10-4-17-7-13-10)16(2-11-5-18-8-14-11)3-12-6-19-9-15-12;1-4-17-10(13-1)7-16(8-11-14-2-5-18-11)9-12-15-3-6-19-12;1(10-4-17-7-13-10)16(2-11-5-18-8-14-11)3-12-6-19-9-15-12;1-4-17-10(13-1)7-16(8-11-14-2-5-18-11)9-12-15-3-6-19-12/h1-12H,13-15H2;4-6,10-12H,7-9H2,1-3H3;4-9H,10-12H2,1-3H3;1-9H,10-12H2;1-6,10-12H,7-9H2;1-9H,10-12H2;1-3,7-9H,4-6,10-12H2;4-9H,1-3H2;1-3,7-9H,4-6H2,(H,13,16)(H,14,17)(H,15,18);4-9H,1-3H2;1-6H,7-9H2;4-9H,1-3H2;1-6H,7-9H2.
What are the key properties of 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine?
1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine has a molecular weight of 3714.49 g/mol, XLogP of 22.12, 78 rotatable bonds, 3 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine is sourced from PubChem (CID 160557967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).