1-naphthalen-2-ylbenzimidazol-5-amine

C17H13N3 — CID 62507384

IUPAC1-naphthalen-2-ylbenzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1ccc2ccccc2c1
InChIInChI=1S/C17H13N3/c18-14-6-8-17-16(10-14)19-11-20(17)15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,18H2
InChIKeyWPQPTRXPGBPVEU-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.76
Rot. Bonds1

About 1-naphthalen-2-ylbenzimidazol-5-amine

1-naphthalen-2-ylbenzimidazol-5-amine (PubChem CID 62507384) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-naphthalen-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-naphthalen-2-ylbenzimidazol-5-amine
PubChem CID62507384
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name1-naphthalen-2-ylbenzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1ccc2ccccc2c1
InChIInChI=1S/C17H13N3/c18-14-6-8-17-16(10-14)19-11-20(17)15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,18H2
InChIKeyWPQPTRXPGBPVEU-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.76
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-naphthalen-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-naphthalen-2-ylbenzimidazol-5-amine (CID 62507384) is 1-naphthalen-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-naphthalen-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-naphthalen-2-ylbenzimidazol-5-amine is Nc1ccc2c(c1)ncn2-c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylbenzimidazol-5-amine?
The InChIKey is WPQPTRXPGBPVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c18-14-6-8-17-16(10-14)19-11-20(17)15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,18H2.
What are the key properties of 1-naphthalen-2-ylbenzimidazol-5-amine?
1-naphthalen-2-ylbenzimidazol-5-amine has a molecular weight of 259.31 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 62507384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).