N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine

C17H19N3O — CID 651468

IUPACN-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
SMILESCOc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1
InChIInChI=1S/C17H19N3O/c1-12-19-16-10-14(6-9-17(16)20(12)2)18-11-13-4-7-15(21-3)8-5-13/h4-10,18H,11H2,1-3H3
InChIKeyJXCZXKMJBLPFEY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.50
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine

N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine (PubChem CID 651468) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
PubChem CID651468
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
SMILESCOc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1
InChIInChI=1S/C17H19N3O/c1-12-19-16-10-14(6-9-17(16)20(12)2)18-11-13-4-7-15(21-3)8-5-13/h4-10,18H,11H2,1-3H3
InChIKeyJXCZXKMJBLPFEY-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine (CID 651468) is N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine is COc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine?
The InChIKey is JXCZXKMJBLPFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-19-16-10-14(6-9-17(16)20(12)2)18-11-13-4-7-15(21-3)8-5-13/h4-10,18H,11H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine?
N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine is sourced from PubChem (CID 651468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).