2-(2-phenylethenyl)-3H-benzimidazol-5-amine

C15H13N3 — CID 3304217

IUPAC2-(2-phenylethenyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(C=Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H13N3/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18)
InChIKeyPHERGUDHJNSTOR-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.32
Rot. Bonds2

About 2-(2-phenylethenyl)-3H-benzimidazol-5-amine

2-(2-phenylethenyl)-3H-benzimidazol-5-amine (PubChem CID 3304217) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2-phenylethenyl)-3H-benzimidazol-5-amine
PubChem CID3304217
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-(2-phenylethenyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(C=Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H13N3/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18)
InChIKeyPHERGUDHJNSTOR-UHFFFAOYSA-N
XLogP3.32
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.32
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-(2-phenylethenyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2-phenylethenyl)-3H-benzimidazol-5-amine (CID 3304217) is 2-(2-phenylethenyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2-phenylethenyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2-phenylethenyl)-3H-benzimidazol-5-amine is Nc1ccc2nc(C=Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-(2-phenylethenyl)-3H-benzimidazol-5-amine?
The InChIKey is PHERGUDHJNSTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18).
What are the key properties of 2-(2-phenylethenyl)-3H-benzimidazol-5-amine?
2-(2-phenylethenyl)-3H-benzimidazol-5-amine has a molecular weight of 235.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 3304217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).