4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline

C15H13N3 — CID 2749986

IUPAC4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
SMILESNc1ccc(C=Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H13N3/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H,16H2,(H,17,18)
InChIKeyQVMSSHXYEYPLLO-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.32
Rot. Bonds2

About 4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline

4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline (PubChem CID 2749986) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
PubChem CID2749986
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
SMILESNc1ccc(C=Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H13N3/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H,16H2,(H,17,18)
InChIKeyQVMSSHXYEYPLLO-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 4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline?
The IUPAC name of 4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline (CID 2749986) is 4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline is Nc1ccc(C=Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline?
The InChIKey is QVMSSHXYEYPLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H,16H2,(H,17,18).
What are the key properties of 4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline?
4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline 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 4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline is sourced from PubChem (CID 2749986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).