1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine

C17H19N3 — CID 738047

IUPAC1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine
SMILESCc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1
InChIInChI=1S/C17H19N3/c1-12-4-6-14(7-5-12)11-18-15-8-9-17-16(10-15)19-13(2)20(17)3/h4-10,18H,11H2,1-3H3
InChIKeyVHDCWVMGXYYPLY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.80
Rot. Bonds3

About 1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine

1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine (PubChem CID 738047) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine
PubChem CID738047
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine
SMILESCc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1
InChIInChI=1S/C17H19N3/c1-12-4-6-14(7-5-12)11-18-15-8-9-17-16(10-15)19-13(2)20(17)3/h4-10,18H,11H2,1-3H3
InChIKeyVHDCWVMGXYYPLY-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lerisetron
CID 65997
Bendazol
CID 12132
2-Phenylbenzimidazole
CID 12855
Tecastemizole
CID 123618
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
2-(1H-benzimidazol-2-yl)aniline
CID 79869
Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-
CID 11675994
1-Benzyl-1H-benzimidazole
CID 563347
Zln005
CID 899323
5-(1H-1,3-benzodiazol-2-yl)-2-methylaniline
CID 721011
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine?
The IUPAC name of 1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine (CID 738047) is 1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine is Cc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1.
What is the InChIKey of 1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine?
The InChIKey is VHDCWVMGXYYPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-4-6-14(7-5-12)11-18-15-8-9-17-16(10-15)19-13(2)20(17)3/h4-10,18H,11H2,1-3H3.
What are the key properties of 1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine?
1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine has a molecular weight of 265.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 738047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).