1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine

C23H23N3O — CID 1111671

IUPAC1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
SMILESCOc1ccccc1CNc1ccc2c(c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C23H23N3O/c1-17-25-21-14-20(24-15-19-10-6-7-11-23(19)27-2)12-13-22(21)26(17)16-18-8-4-3-5-9-18/h3-14,24H,15-16H2,1-2H3
InChIKeyHWLTYJJBRFWXLN-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.01
Rot. Bonds6

About 1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine

1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine (PubChem CID 1111671) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
PubChem CID1111671
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
SMILESCOc1ccccc1CNc1ccc2c(c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C23H23N3O/c1-17-25-21-14-20(24-15-19-10-6-7-11-23(19)27-2)12-13-22(21)26(17)16-18-8-4-3-5-9-18/h3-14,24H,15-16H2,1-2H3
InChIKeyHWLTYJJBRFWXLN-UHFFFAOYSA-N
XLogP5.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-benzyl-2-methylbenzimidazol-5-yl)amino]-3-chloropropan-2-ol
CID 168637879
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 1077765
N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
CID 628339
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride
CID 6459986
1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide
CID 44577069
1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
CID 59372972
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 134084273
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
N-[(2-methoxyphenyl)methyl]-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine
CID 10236941
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine (CID 1111671) is 1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine is COc1ccccc1CNc1ccc2c(c1)nc(C)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine?
The InChIKey is HWLTYJJBRFWXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17-25-21-14-20(24-15-19-10-6-7-11-23(19)27-2)12-13-22(21)26(17)16-18-8-4-3-5-9-18/h3-14,24H,15-16H2,1-2H3.
What are the key properties of 1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine?
1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine has a molecular weight of 357.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 1111671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).