3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one

C194H224F2N31O3S3+ — CID 158467564

IUPAC3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESC=C(N)c1ccccc1-n1cnc2ccc(NC(C)(C)C)cc21.CCn1cc(C)cn1.COc1n[nH]c2ccc(C)cc12.Cc1c[nH]c(=O)c(-c2cncs2)c1.Cc1ccc(=O)n(-c2ccccc2)c1.Cc1ccc(F)c(C2CCN(C)CC2)c1.Cc1ccc(F)c(N2CCN(C)CC2)c1.Cc1ccc2nc(NCCN(C)C)sc2c1.Cc1ccc2nc(NCc3ccccc3)sc2c1.Cc1ccc2nccn2c1.Cc1ccc2ncn(-c3ccccc3)c2c1.Cc1ccc[n+](-c2nccn2C)c1.Cc1cccc(-c2ncc[nH]2)c1.Cc1cccc(C2CCN(C)CC2)c1.Cc1cccc(C2CCNCC2)c1.Cc1cccc2[nH]ccc12.Cc1cccc2ccccc12
InChIInChI=1S/C19H22N4.C15H14N2S.C14H12N2.C13H18FN.C13H19N.C12H17FN2.C12H17N3S.C12H11NO.C12H17N.C11H10.C10H12N3.C10H10N2.C9H8N2OS.C9H10N2O.C9H9N.C8H8N2.C6H10N2/c1-13(20)15-7-5-6-8-17(15)23-12-21-16-10-9-14(11-18(16)23)22-19(2,3)4;1-11-7-8-13-14(9-11)18-15(17-13)16-10-12-5-3-2-4-6-12;1-11-7-8-13-14(9-11)16(10-15-13)12-5-3-2-4-6-12;1-10-3-4-13(14)12(9-10)11-5-7-15(2)8-6-11;1-11-4-3-5-13(10-11)12-6-8-14(2)9-7-12;1-10-3-4-11(13)12(9-10)15-7-5-14(2)6-8-15;1-9-4-5-10-11(8-9)16-12(14-10)13-6-7-15(2)3;1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11;1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-4-3-6-13(8-9)10-11-5-7-12(10)2;1-8-3-2-4-9(7-8)10-11-5-6-12-10;1-6-2-7(9(12)11-3-6)8-4-10-5-13-8;1-6-3-4-8-7(5-6)9(12-2)11-10-8;1-7-3-2-4-9-8(7)5-6-10-9;1-7-2-3-8-9-4-5-10(8)6-7;1-3-8-5-6(2)4-7-8/h5-12,22H,1,20H2,2-4H3;2-9H,10H2,1H3,(H,16,17);2-10H,1H3;3-4,9,11H,5-8H2,1-2H3;3-5,10,12H,6-9H2,1-2H3;3-4,9H,5-8H2,1-2H3;4-5,8H,6-7H2,1-3H3,(H,13,14);2-9H,1H3;2-4,9,11,13H,5-8H2,1H3;2-8H,1H3;3-8H,1-2H3;2-7H,1H3,(H,11,12);2-5H,1H3,(H,11,12);3-5H,1-2H3,(H,10,11);2-6,10H,1H3;2-6H,1H3;4-5H,3H2,1-2H3/q;;;;;;;;;;+1;;;;;;
InChIKeyMCOQMPGHHJTUHA-UHFFFAOYSA-N
MW3172.34 g/mol
LogP42.09
Rot. Bonds21

About 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one

3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (PubChem CID 158467564) has the molecular formula C194H224F2N31O3S3+ and a molecular weight of 3172.34 g/mol. Its IUPAC name is 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
PubChem CID158467564
Molecular FormulaC194H224F2N31O3S3+
Molecular Weight3172.34 g/mol
Exact Mass3169.75
IUPAC Name3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESC=C(N)c1ccccc1-n1cnc2ccc(NC(C)(C)C)cc21.CCn1cc(C)cn1.COc1n[nH]c2ccc(C)cc12.Cc1c[nH]c(=O)c(-c2cncs2)c1.Cc1ccc(=O)n(-c2ccccc2)c1.Cc1ccc(F)c(C2CCN(C)CC2)c1.Cc1ccc(F)c(N2CCN(C)CC2)c1.Cc1ccc2nc(NCCN(C)C)sc2c1.Cc1ccc2nc(NCc3ccccc3)sc2c1.Cc1ccc2nccn2c1.Cc1ccc2ncn(-c3ccccc3)c2c1.Cc1ccc[n+](-c2nccn2C)c1.Cc1cccc(-c2ncc[nH]2)c1.Cc1cccc(C2CCN(C)CC2)c1.Cc1cccc(C2CCNCC2)c1.Cc1cccc2[nH]ccc12.Cc1cccc2ccccc12
InChIInChI=1S/C19H22N4.C15H14N2S.C14H12N2.C13H18FN.C13H19N.C12H17FN2.C12H17N3S.C12H11NO.C12H17N.C11H10.C10H12N3.C10H10N2.C9H8N2OS.C9H10N2O.C9H9N.C8H8N2.C6H10N2/c1-13(20)15-7-5-6-8-17(15)23-12-21-16-10-9-14(11-18(16)23)22-19(2,3)4;1-11-7-8-13-14(9-11)18-15(17-13)16-10-12-5-3-2-4-6-12;1-11-7-8-13-14(9-11)16(10-15-13)12-5-3-2-4-6-12;1-10-3-4-13(14)12(9-10)11-5-7-15(2)8-6-11;1-11-4-3-5-13(10-11)12-6-8-14(2)9-7-12;1-10-3-4-11(13)12(9-10)15-7-5-14(2)6-8-15;1-9-4-5-10-11(8-9)16-12(14-10)13-6-7-15(2)3;1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11;1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-4-3-6-13(8-9)10-11-5-7-12(10)2;1-8-3-2-4-9(7-8)10-11-5-6-12-10;1-6-2-7(9(12)11-3-6)8-4-10-5-13-8;1-6-3-4-8-7(5-6)9(12-2)11-10-8;1-7-3-2-4-9-8(7)5-6-10-9;1-7-2-3-8-9-4-5-10(8)6-7;1-3-8-5-6(2)4-7-8/h5-12,22H,1,20H2,2-4H3;2-9H,10H2,1H3,(H,16,17);2-10H,1H3;3-4,9,11H,5-8H2,1-2H3;3-5,10,12H,6-9H2,1-2H3;3-4,9H,5-8H2,1-2H3;4-5,8H,6-7H2,1-3H3,(H,13,14);2-9H,1H3;2-4,9,11,13H,5-8H2,1H3;2-8H,1H3;3-8H,1-2H3;2-7H,1H3,(H,11,12);2-5H,1H3,(H,11,12);3-5H,1-2H3,(H,10,11);2-6,10H,1H3;2-6H,1H3;4-5H,3H2,1-2H3/q;;;;;;;;;;+1;;;;;;
InChIKeyMCOQMPGHHJTUHA-UHFFFAOYSA-N
XLogP42.09
TPSA358.71 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003172.34
LogP ≤ 542.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (CID 158467564) is 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is C=C(N)c1ccccc1-n1cnc2ccc(NC(C)(C)C)cc21.CCn1cc(C)cn1.COc1n[nH]c2ccc(C)cc12.Cc1c[nH]c(=O)c(-c2cncs2)c1.Cc1ccc(=O)n(-c2ccccc2)c1.Cc1ccc(F)c(C2CCN(C)CC2)c1.Cc1ccc(F)c(N2CCN(C)CC2)c1.Cc1ccc2nc(NCCN(C)C)sc2c1.Cc1ccc2nc(NCc3ccccc3)sc2c1.Cc1ccc2nccn2c1.Cc1ccc2ncn(-c3ccccc3)c2c1.Cc1ccc[n+](-c2nccn2C)c1.Cc1cccc(-c2ncc[nH]2)c1.Cc1cccc(C2CCN(C)CC2)c1.Cc1cccc(C2CCNCC2)c1.Cc1cccc2[nH]ccc12.Cc1cccc2ccccc12.
What is the InChIKey of 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is MCOQMPGHHJTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4.C15H14N2S.C14H12N2.C13H18FN.C13H19N.C12H17FN2.C12H17N3S.C12H11NO.C12H17N.C11H10.C10H12N3.C10H10N2.C9H8N2OS.C9H10N2O.C9H9N.C8H8N2.C6H10N2/c1-13(20)15-7-5-6-8-17(15)23-12-21-16-10-9-14(11-18(16)23)22-19(2,3)4;1-11-7-8-13-14(9-11)18-15(17-13)16-10-12-5-3-2-4-6-12;1-11-7-8-13-14(9-11)16(10-15-13)12-5-3-2-4-6-12;1-10-3-4-13(14)12(9-10)11-5-7-15(2)8-6-11;1-11-4-3-5-13(10-11)12-6-8-14(2)9-7-12;1-10-3-4-11(13)12(9-10)15-7-5-14(2)6-8-15;1-9-4-5-10-11(8-9)16-12(14-10)13-6-7-15(2)3;1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11;1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-4-3-6-13(8-9)10-11-5-7-12(10)2;1-8-3-2-4-9(7-8)10-11-5-6-12-10;1-6-2-7(9(12)11-3-6)8-4-10-5-13-8;1-6-3-4-8-7(5-6)9(12-2)11-10-8;1-7-3-2-4-9-8(7)5-6-10-9;1-7-2-3-8-9-4-5-10(8)6-7;1-3-8-5-6(2)4-7-8/h5-12,22H,1,20H2,2-4H3;2-9H,10H2,1H3,(H,16,17);2-10H,1H3;3-4,9,11H,5-8H2,1-2H3;3-5,10,12H,6-9H2,1-2H3;3-4,9H,5-8H2,1-2H3;4-5,8H,6-7H2,1-3H3,(H,13,14);2-9H,1H3;2-4,9,11,13H,5-8H2,1H3;2-8H,1H3;3-8H,1-2H3;2-7H,1H3,(H,11,12);2-5H,1H3,(H,11,12);3-5H,1-2H3,(H,10,11);2-6,10H,1H3;2-6H,1H3;4-5H,3H2,1-2H3/q;;;;;;;;;;+1;;;;;;.
What are the key properties of 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 3172.34 g/mol, XLogP of 42.09, 21 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethenyl)phenyl]-N-tert-butylbenzimidazol-5-amine;N-benzyl-6-methyl-1,3-benzothiazol-2-amine;N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;1-ethyl-4-methylpyrazole;1-(2-fluoro-5-methylphenyl)-4-methylpiperazine;4-(2-fluoro-5-methylphenyl)-1-methylpiperidine;3-methoxy-5-methyl-1H-indazole;6-methylimidazo[1,2-a]pyridine;4-methyl-1H-indole;3-methyl-1-(1-methylimidazol-2-yl)pyridin-1-ium;1-methyl-4-(3-methylphenyl)piperidine;1-methylnaphthalene;6-methyl-1-phenylbenzimidazole;2-(3-methylphenyl)-1H-imidazole;4-(3-methylphenyl)piperidine;5-methyl-1-phenylpyridin-2-one;5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 158467564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).