N-(4-methoxyphenyl)-1H-benzimidazol-2-amine

C14H13N3O — CID 966580

IUPACN-(4-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H13N3O/c1-18-11-8-6-10(7-9-11)15-14-16-12-4-2-3-5-13(12)17-14/h2-9H,1H3,(H2,15,16,17)
InChIKeyHZAZEFOPMLDKIC-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.32
Rot. Bonds3

About N-(4-methoxyphenyl)-1H-benzimidazol-2-amine

N-(4-methoxyphenyl)-1H-benzimidazol-2-amine (PubChem CID 966580) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1H-benzimidazol-2-amine
PubChem CID966580
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-(4-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H13N3O/c1-18-11-8-6-10(7-9-11)15-14-16-12-4-2-3-5-13(12)17-14/h2-9H,1H3,(H2,15,16,17)
InChIKeyHZAZEFOPMLDKIC-UHFFFAOYSA-N
XLogP3.32
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-methoxyphenyl)-1H-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 N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-1H-benzimidazol-2-amine (CID 966580) is N-(4-methoxyphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1H-benzimidazol-2-amine is COc1ccc(Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The InChIKey is HZAZEFOPMLDKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-11-8-6-10(7-9-11)15-14-16-12-4-2-3-5-13(12)17-14/h2-9H,1H3,(H2,15,16,17).
What are the key properties of N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
N-(4-methoxyphenyl)-1H-benzimidazol-2-amine has a molecular weight of 239.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 966580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).