1-(3,5-dimethylphenyl)benzimidazol-5-amine

C15H15N3 — CID 62508491

IUPAC1-(3,5-dimethylphenyl)benzimidazol-5-amine
SMILESCc1cc(C)cc(-n2cnc3cc(N)ccc32)c1
InChIInChI=1S/C15H15N3/c1-10-5-11(2)7-13(6-10)18-9-17-14-8-12(16)3-4-15(14)18/h3-9H,16H2,1-2H3
InChIKeyJIDFXYHUFVJGKE-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.22
Rot. Bonds1

About 1-(3,5-dimethylphenyl)benzimidazol-5-amine

1-(3,5-dimethylphenyl)benzimidazol-5-amine (PubChem CID 62508491) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)benzimidazol-5-amine
PubChem CID62508491
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1-(3,5-dimethylphenyl)benzimidazol-5-amine
SMILESCc1cc(C)cc(-n2cnc3cc(N)ccc32)c1
InChIInChI=1S/C15H15N3/c1-10-5-11(2)7-13(6-10)18-9-17-14-8-12(16)3-4-15(14)18/h3-9H,16H2,1-2H3
InChIKeyJIDFXYHUFVJGKE-UHFFFAOYSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylphenyl)benzimidazol-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 1-(3,5-dimethylphenyl)benzimidazol-5-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)benzimidazol-5-amine (CID 62508491) is 1-(3,5-dimethylphenyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)benzimidazol-5-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)benzimidazol-5-amine is Cc1cc(C)cc(-n2cnc3cc(N)ccc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)benzimidazol-5-amine?
The InChIKey is JIDFXYHUFVJGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-5-11(2)7-13(6-10)18-9-17-14-8-12(16)3-4-15(14)18/h3-9H,16H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)benzimidazol-5-amine?
1-(3,5-dimethylphenyl)benzimidazol-5-amine has a molecular weight of 237.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)benzimidazol-5-amine is sourced from PubChem (CID 62508491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).