2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole

C16H14N2O — CID 3162026

IUPAC2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(C=Cc2ccco2)nc2ccccc21
InChIInChI=1S/C16H14N2O/c1-2-11-18-15-8-4-3-7-14(15)17-16(18)10-9-13-6-5-12-19-13/h2-10,12H,1,11H2
InChIKeyLXQFNLLSNZEZGX-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.99
Rot. Bonds4

About 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole

2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole (PubChem CID 3162026) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
PubChem CID3162026
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(C=Cc2ccco2)nc2ccccc21
InChIInChI=1S/C16H14N2O/c1-2-11-18-15-8-4-3-7-14(15)17-16(18)10-9-13-6-5-12-19-13/h2-10,12H,1,11H2
InChIKeyLXQFNLLSNZEZGX-UHFFFAOYSA-N
XLogP3.99
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole (CID 3162026) is 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole is C=CCn1c(C=Cc2ccco2)nc2ccccc21.
What is the InChIKey of 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole?
The InChIKey is LXQFNLLSNZEZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-11-18-15-8-4-3-7-14(15)17-16(18)10-9-13-6-5-12-19-13/h2-10,12H,1,11H2.
What are the key properties of 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole?
2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole has a molecular weight of 250.30 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 3162026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).