2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole

C18H18N2 — CID 169224537

IUPAC2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(-c2ccc(CC)cc2)nc2ccccc21
InChIInChI=1S/C18H18N2/c1-3-13-20-17-8-6-5-7-16(17)19-18(20)15-11-9-14(4-2)10-12-15/h3,5-12H,1,4,13H2,2H3
InChIKeyHEFKRYIYFMVNOK-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.45
Rot. Bonds4

About 2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole

2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole (PubChem CID 169224537) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole
PubChem CID169224537
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(-c2ccc(CC)cc2)nc2ccccc21
InChIInChI=1S/C18H18N2/c1-3-13-20-17-8-6-5-7-16(17)19-18(20)15-11-9-14(4-2)10-12-15/h3,5-12H,1,4,13H2,2H3
InChIKeyHEFKRYIYFMVNOK-UHFFFAOYSA-N
XLogP4.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-ethylphenyl)-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

Related Compounds

2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole
CID 84571434
N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine
CID 175453602
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092
2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole
CID 16987511
1-but-3-enyl-2-(4-tert-butylphenyl)benzimidazole
CID 84571658
[4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine
CID 82332204
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 17001185
2-chloro-1-prop-2-enylbenzimidazole
CID 39916426
[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine
CID 158757236
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 55048395

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole (CID 169224537) is 2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole is C=CCn1c(-c2ccc(CC)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole?
The InChIKey is HEFKRYIYFMVNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-13-20-17-8-6-5-7-16(17)19-18(20)15-11-9-14(4-2)10-12-15/h3,5-12H,1,4,13H2,2H3.
What are the key properties of 2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole?
2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole has a molecular weight of 262.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 169224537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).