1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine

C24H24ClN3O — CID 166683942

IUPAC1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine
SMILESCOc1ccc(CNc2c(C)c(C)cc3c2ncn3Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClN3O/c1-16-12-22-24(27-15-28(22)14-19-4-8-20(25)9-5-19)23(17(16)2)26-13-18-6-10-21(29-3)11-7-18/h4-12,15,26H,13-14H2,1-3H3
InChIKeyAQRQCFMKPFHODI-UHFFFAOYSA-N
MW405.93 g/mol
LogP5.98
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine

1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine (PubChem CID 166683942) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine
PubChem CID166683942
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine
SMILESCOc1ccc(CNc2c(C)c(C)cc3c2ncn3Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClN3O/c1-16-12-22-24(27-15-28(22)14-19-4-8-20(25)9-5-19)23(17(16)2)26-13-18-6-10-21(29-3)11-7-18/h4-12,15,26H,13-14H2,1-3H3
InChIKeyAQRQCFMKPFHODI-UHFFFAOYSA-N
XLogP5.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
CID 1479149
N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide
CID 59172184
2,4,5-trichloro-N-[1-[(3-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
CID 3512894
N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide
CID 1476367
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 56930431
9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
CID 71171876
6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine
CID 178083288
5-[(4-chlorophenyl)methyl]-11-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523930
1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 141220719
2-dimethylphosphoryl-N,9-bis[(4-methoxyphenyl)methyl]purin-6-amine
CID 170722633
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872962

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine (CID 166683942) is 1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine is COc1ccc(CNc2c(C)c(C)cc3c2ncn3Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine?
The InChIKey is AQRQCFMKPFHODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O/c1-16-12-22-24(27-15-28(22)14-19-4-8-20(25)9-5-19)23(17(16)2)26-13-18-6-10-21(29-3)11-7-18/h4-12,15,26H,13-14H2,1-3H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine?
1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine has a molecular weight of 405.93 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine is sourced from PubChem (CID 166683942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).