[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone

C20H15N3O — CID 763432

IUPAC[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone
SMILESNc1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1
InChIInChI=1S/C20H15N3O/c21-16-8-4-7-15(11-16)20-22-17-10-9-14(12-18(17)23-20)19(24)13-5-2-1-3-6-13/h1-12H,21H2,(H,22,23)
InChIKeyRRVMMIGOODBROK-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.04
Rot. Bonds3

About [2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone

[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone (PubChem CID 763432) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone
PubChem CID763432
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone
SMILESNc1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1
InChIInChI=1S/C20H15N3O/c21-16-8-4-7-15(11-16)20-22-17-10-9-14(12-18(17)23-20)19(24)13-5-2-1-3-6-13/h1-12H,21H2,(H,22,23)
InChIKeyRRVMMIGOODBROK-UHFFFAOYSA-N
XLogP4.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone (CID 763432) is [2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone is Nc1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1.
What is the InChIKey of [2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The InChIKey is RRVMMIGOODBROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-16-8-4-7-15(11-16)20-22-17-10-9-14(12-18(17)23-20)19(24)13-5-2-1-3-6-13/h1-12H,21H2,(H,22,23).
What are the key properties of [2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone?
[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone has a molecular weight of 313.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminophenyl)-3H-benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 763432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).