N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine

C94H111Cl3N14O4 — CID 157163074

IUPACN-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine
SMILESCC.CC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(c1ccccc1)c1ccc(Cl)cc1.CN(Cc1ccccc1)c1ccccn1.COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1.COc1cccc(CN2CCCCC2)c1.Cc1[nH]cnc1CCN.Cc1cnc[nH]1.NCCc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H21ClN2O2.C14H13Cl.C13H14N2.C13H19NO.C11H13N3.C10H8ClNO.C6H11N3.C4H6N2.C2H6/c1-26-21(25)24-11-8-14(9-12-24)19-18-7-6-17(22)13-16(18)5-4-15-3-2-10-23-20(15)19;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12;1-15-13-7-5-6-12(10-13)11-14-8-3-2-4-9-14;12-7-6-10-8-13-11(14-10)9-4-2-1-3-5-9;1-6(13)10-5-7-4-8(11)2-3-9(7)12-10;1-5-6(2-3-7)9-4-8-5;1-4-2-5-3-6-4;1-2/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3;2-11H,1H3;2-10H,11H2,1H3;5-7,10H,2-4,8-9,11H2,1H3;1-5,8H,6-7,12H2,(H,13,14);2-5,12H,1H3;4H,2-3,7H2,1H3,(H,8,9);2-3H,1H3,(H,5,6);1-2H3
InChIKeyAMPBRCYHFVZJNN-UHFFFAOYSA-N
MW1607.37 g/mol
LogP20.95
Rot. Bonds14

About N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine

N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine (PubChem CID 157163074) has the molecular formula C94H111Cl3N14O4 and a molecular weight of 1607.37 g/mol. Its IUPAC name is N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine
PubChem CID157163074
Molecular FormulaC94H111Cl3N14O4
Molecular Weight1607.37 g/mol
Exact Mass1604.80
IUPAC NameN-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine
SMILESCC.CC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(c1ccccc1)c1ccc(Cl)cc1.CN(Cc1ccccc1)c1ccccn1.COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1.COc1cccc(CN2CCCCC2)c1.Cc1[nH]cnc1CCN.Cc1cnc[nH]1.NCCc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H21ClN2O2.C14H13Cl.C13H14N2.C13H19NO.C11H13N3.C10H8ClNO.C6H11N3.C4H6N2.C2H6/c1-26-21(25)24-11-8-14(9-12-24)19-18-7-6-17(22)13-16(18)5-4-15-3-2-10-23-20(15)19;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12;1-15-13-7-5-6-12(10-13)11-14-8-3-2-4-9-14;12-7-6-10-8-13-11(14-10)9-4-2-1-3-5-9;1-6(13)10-5-7-4-8(11)2-3-9(7)12-10;1-5-6(2-3-7)9-4-8-5;1-4-2-5-3-6-4;1-2/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3;2-11H,1H3;2-10H,11H2,1H3;5-7,10H,2-4,8-9,11H2,1H3;1-5,8H,6-7,12H2,(H,13,14);2-5,12H,1H3;4H,2-3,7H2,1H3,(H,8,9);2-3H,1H3,(H,5,6);1-2H3
InChIKeyAMPBRCYHFVZJNN-UHFFFAOYSA-N
XLogP20.95
TPSA241.97 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001607.37
LogP ≤ 520.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine with MolForge

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Related Compounds

CID 160498773
CID 160498773
2-amino-1-[2-[5-[10-[2-[3-(3,6-dichloropyridine-2-carbonyl)-4-methylcycloheptyl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]-3-ethyl-1H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 123321421
[(2S,4R)-2-[5-[4-[4-[2-[(2S,5R)-1-(3-chloro-5-methoxyisoquinoline-1-carbonyl)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-prop-2-enylpyrrolidin-1-yl]-(3-chloro-5-methoxyisoquinolin-1-yl)methanone
CID 130457154
1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylpropyl]indole-4-carboxamide;4-[(3-chlorophenyl)methyl]pyrimidin-2-amine;1-(2,6-diaminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;methane;sulfane
CID 157129565
CID 157134319
CID 157134319
CID 157192980
CID 157192980
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-3-methoxyphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 157462005
N-benzyl-N-methylpyridin-2-amine;1-chloro-4-(1-phenylethyl)benzene;5-chloro-2-prop-1-en-2-yl-1H-indole;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine
CID 157492138
N-[4-[1-(4-chloro-2-methoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(1H-indole-2-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157729617
1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(3-chlorophenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-chlorophenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(3-fluorophenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-(1-phenylethyl)indole-4-carboxamide
CID 158575781
7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 158722597
7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 158758188

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine (CID 157163074) is N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine is CC.CC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(c1ccccc1)c1ccc(Cl)cc1.CN(Cc1ccccc1)c1ccccn1.COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1.COc1cccc(CN2CCCCC2)c1.Cc1[nH]cnc1CCN.Cc1cnc[nH]1.NCCc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine?
The InChIKey is AMPBRCYHFVZJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2.C14H13Cl.C13H14N2.C13H19NO.C11H13N3.C10H8ClNO.C6H11N3.C4H6N2.C2H6/c1-26-21(25)24-11-8-14(9-12-24)19-18-7-6-17(22)13-16(18)5-4-15-3-2-10-23-20(15)19;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12;1-15-13-7-5-6-12(10-13)11-14-8-3-2-4-9-14;12-7-6-10-8-13-11(14-10)9-4-2-1-3-5-9;1-6(13)10-5-7-4-8(11)2-3-9(7)12-10;1-5-6(2-3-7)9-4-8-5;1-4-2-5-3-6-4;1-2/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3;2-11H,1H3;2-10H,11H2,1H3;5-7,10H,2-4,8-9,11H2,1H3;1-5,8H,6-7,12H2,(H,13,14);2-5,12H,1H3;4H,2-3,7H2,1H3,(H,8,9);2-3H,1H3,(H,5,6);1-2H3.
What are the key properties of N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine?
N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine has a molecular weight of 1607.37 g/mol, XLogP of 20.95, 14 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylpyridin-2-amine;1-(5-chloro-1H-indol-2-yl)ethanone;1-chloro-4-(1-phenylethyl)benzene;ethane;1-[(3-methoxyphenyl)methyl]piperidine;methyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;5-methyl-1H-imidazole;2-(5-methyl-1H-imidazol-4-yl)ethanamine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 157163074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).