1-phenylbenzimidazol-5-amine

C13H11N3 — CID 965312

IUPAC1-phenylbenzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C13H11N3/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H,14H2
InChIKeyJSQMNGQWESPAOF-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.61
Rot. Bonds1

About 1-phenylbenzimidazol-5-amine

1-phenylbenzimidazol-5-amine (PubChem CID 965312) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-phenylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-phenylbenzimidazol-5-amine
PubChem CID965312
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1-phenylbenzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C13H11N3/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H,14H2
InChIKeyJSQMNGQWESPAOF-UHFFFAOYSA-N
XLogP2.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
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 1-phenylbenzimidazol-5-amine?
The IUPAC name of 1-phenylbenzimidazol-5-amine (CID 965312) is 1-phenylbenzimidazol-5-amine.
What is the SMILES notation for 1-phenylbenzimidazol-5-amine?
The canonical SMILES for 1-phenylbenzimidazol-5-amine is Nc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 1-phenylbenzimidazol-5-amine?
The InChIKey is JSQMNGQWESPAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H,14H2.
What are the key properties of 1-phenylbenzimidazol-5-amine?
1-phenylbenzimidazol-5-amine has a molecular weight of 209.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzimidazol-5-amine is sourced from PubChem (CID 965312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).