1-phenyl-5-prop-2-enoxybenzimidazole

C16H14N2O — CID 5328501

IUPAC1-phenyl-5-prop-2-enoxybenzimidazole
SMILESC=CCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C16H14N2O/c1-2-10-19-14-8-9-16-15(11-14)17-12-18(16)13-6-4-3-5-7-13/h2-9,11-12H,1,10H2
InChIKeyGVNFMUIESFTDEE-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.59
Rot. Bonds4

About 1-phenyl-5-prop-2-enoxybenzimidazole

1-phenyl-5-prop-2-enoxybenzimidazole (PubChem CID 5328501) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-phenyl-5-prop-2-enoxybenzimidazole.

Molecular Properties

Compound Name1-phenyl-5-prop-2-enoxybenzimidazole
PubChem CID5328501
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-phenyl-5-prop-2-enoxybenzimidazole
SMILESC=CCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C16H14N2O/c1-2-10-19-14-8-9-16-15(11-14)17-12-18(16)13-6-4-3-5-7-13/h2-9,11-12H,1,10H2
InChIKeyGVNFMUIESFTDEE-UHFFFAOYSA-N
XLogP3.59
TPSA27.05 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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenyl-5-prop-2-enoxybenzimidazole 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 1-phenyl-5-prop-2-enoxybenzimidazole?
The IUPAC name of 1-phenyl-5-prop-2-enoxybenzimidazole (CID 5328501) is 1-phenyl-5-prop-2-enoxybenzimidazole.
What is the SMILES notation for 1-phenyl-5-prop-2-enoxybenzimidazole?
The canonical SMILES for 1-phenyl-5-prop-2-enoxybenzimidazole is C=CCOc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 1-phenyl-5-prop-2-enoxybenzimidazole?
The InChIKey is GVNFMUIESFTDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-10-19-14-8-9-16-15(11-14)17-12-18(16)13-6-4-3-5-7-13/h2-9,11-12H,1,10H2.
What are the key properties of 1-phenyl-5-prop-2-enoxybenzimidazole?
1-phenyl-5-prop-2-enoxybenzimidazole has a molecular weight of 250.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-prop-2-enoxybenzimidazole is sourced from PubChem (CID 5328501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).