2-phenyl-1H-benzimidazol-4-amine

C13H11N3 — CID 759421

IUPAC2-phenyl-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C13H11N3/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-8H,14H2,(H,15,16)
InChIKeyPVNHYDDCQMHWAL-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.81
Rot. Bonds1

About 2-phenyl-1H-benzimidazol-4-amine

2-phenyl-1H-benzimidazol-4-amine (PubChem CID 759421) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-phenyl-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-phenyl-1H-benzimidazol-4-amine
PubChem CID759421
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-phenyl-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C13H11N3/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-8H,14H2,(H,15,16)
InChIKeyPVNHYDDCQMHWAL-UHFFFAOYSA-N
XLogP2.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.81
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-phenyl-1H-benzimidazol-4-amine?
The IUPAC name of 2-phenyl-1H-benzimidazol-4-amine (CID 759421) is 2-phenyl-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-phenyl-1H-benzimidazol-4-amine?
The canonical SMILES for 2-phenyl-1H-benzimidazol-4-amine is Nc1cccc2[nH]c(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-1H-benzimidazol-4-amine?
The InChIKey is PVNHYDDCQMHWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-8H,14H2,(H,15,16).
What are the key properties of 2-phenyl-1H-benzimidazol-4-amine?
2-phenyl-1H-benzimidazol-4-amine has a molecular weight of 209.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-benzimidazol-4-amine is sourced from PubChem (CID 759421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).