(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol

C17H18N2O — CID 3131363

IUPAC(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
SMILESCCn1c(C(O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)13-10-8-12(2)9-11-13/h4-11,16,20H,3H2,1-2H3
InChIKeyQJVOGBUHWOKTKA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.45
Rot. Bonds3

About (1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol

(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol (PubChem CID 3131363) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
PubChem CID3131363
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
SMILESCCn1c(C(O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)13-10-8-12(2)9-11-13/h4-11,16,20H,3H2,1-2H3
InChIKeyQJVOGBUHWOKTKA-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol 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-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol?
The IUPAC name of (1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol (CID 3131363) is (1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol is CCn1c(C(O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of (1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol?
The InChIKey is QJVOGBUHWOKTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-19-15-7-5-4-6-14(15)18-17(19)16(20)13-10-8-12(2)9-11-13/h4-11,16,20H,3H2,1-2H3.
What are the key properties of (1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol?
(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol has a molecular weight of 266.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 3131363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).