4,6-dimethyl-1H-benzimidazol-5-amine

C9H11N3 — CID 18400127

IUPAC4,6-dimethyl-1H-benzimidazol-5-amine
SMILESCc1cc2[nH]cnc2c(C)c1N
InChIInChI=1S/C9H11N3/c1-5-3-7-9(12-4-11-7)6(2)8(5)10/h3-4H,10H2,1-2H3,(H,11,12)
InChIKeyFZGRMXKTVVJXLO-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.76
Rot. Bonds

About 4,6-dimethyl-1H-benzimidazol-5-amine

4,6-dimethyl-1H-benzimidazol-5-amine (PubChem CID 18400127) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 4,6-dimethyl-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name4,6-dimethyl-1H-benzimidazol-5-amine
PubChem CID18400127
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name4,6-dimethyl-1H-benzimidazol-5-amine
SMILESCc1cc2[nH]cnc2c(C)c1N
InChIInChI=1S/C9H11N3/c1-5-3-7-9(12-4-11-7)6(2)8(5)10/h3-4H,10H2,1-2H3,(H,11,12)
InChIKeyFZGRMXKTVVJXLO-UHFFFAOYSA-N
XLogP1.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,6-dimethyl-1H-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 4,6-dimethyl-1H-benzimidazol-5-amine?
The IUPAC name of 4,6-dimethyl-1H-benzimidazol-5-amine (CID 18400127) is 4,6-dimethyl-1H-benzimidazol-5-amine.
What is the SMILES notation for 4,6-dimethyl-1H-benzimidazol-5-amine?
The canonical SMILES for 4,6-dimethyl-1H-benzimidazol-5-amine is Cc1cc2[nH]cnc2c(C)c1N.
What is the InChIKey of 4,6-dimethyl-1H-benzimidazol-5-amine?
The InChIKey is FZGRMXKTVVJXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-5-3-7-9(12-4-11-7)6(2)8(5)10/h3-4H,10H2,1-2H3,(H,11,12).
What are the key properties of 4,6-dimethyl-1H-benzimidazol-5-amine?
4,6-dimethyl-1H-benzimidazol-5-amine has a molecular weight of 161.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-benzimidazol-5-amine is sourced from PubChem (CID 18400127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).