2-(3-methylphenyl)-1H-benzimidazol-4-amine

C14H13N3 — CID 63691360

IUPAC2-(3-methylphenyl)-1H-benzimidazol-4-amine
SMILESCc1cccc(-c2nc3c(N)cccc3[nH]2)c1
InChIInChI=1S/C14H13N3/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15)13(12)17-14/h2-8H,15H2,1H3,(H,16,17)
InChIKeyIHJGNDVVAIDQSS-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.12
Rot. Bonds1

About 2-(3-methylphenyl)-1H-benzimidazol-4-amine

2-(3-methylphenyl)-1H-benzimidazol-4-amine (PubChem CID 63691360) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1H-benzimidazol-4-amine
PubChem CID63691360
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-(3-methylphenyl)-1H-benzimidazol-4-amine
SMILESCc1cccc(-c2nc3c(N)cccc3[nH]2)c1
InChIInChI=1S/C14H13N3/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15)13(12)17-14/h2-8H,15H2,1H3,(H,16,17)
InChIKeyIHJGNDVVAIDQSS-UHFFFAOYSA-N
XLogP3.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(3-methylphenyl)-1H-benzimidazol-4-amine (CID 63691360) is 2-(3-methylphenyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(3-methylphenyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(3-methylphenyl)-1H-benzimidazol-4-amine is Cc1cccc(-c2nc3c(N)cccc3[nH]2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1H-benzimidazol-4-amine?
The InChIKey is IHJGNDVVAIDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15)13(12)17-14/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 2-(3-methylphenyl)-1H-benzimidazol-4-amine?
2-(3-methylphenyl)-1H-benzimidazol-4-amine has a molecular weight of 223.28 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 63691360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).