1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine

C17H17N5 — CID 715184

IUPAC1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
SMILESCn1c(CNc2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C17H17N5/c1-21-14-9-5-3-7-12(14)19-16(21)11-18-17-20-13-8-4-6-10-15(13)22(17)2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyOKBOGHUIYYEJCS-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.07
Rot. Bonds3

About 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine

1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine (PubChem CID 715184) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
PubChem CID715184
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
SMILESCn1c(CNc2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C17H17N5/c1-21-14-9-5-3-7-12(14)19-16(21)11-18-17-20-13-8-4-6-10-15(13)22(17)2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyOKBOGHUIYYEJCS-UHFFFAOYSA-N
XLogP3.07
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-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 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine (CID 715184) is 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine is Cn1c(CNc2nc3ccccc3n2C)nc2ccccc21.
What is the InChIKey of 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is OKBOGHUIYYEJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-21-14-9-5-3-7-12(14)19-16(21)11-18-17-20-13-8-4-6-10-15(13)22(17)2/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine?
1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 291.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 715184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).