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

C18H20N2O — CID 2881527

IUPAC(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)14-10-8-13(2)9-11-14/h4-11,17,21H,3,12H2,1-2H3
InChIKeyJHGYDWJQXBVLNU-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.84
Rot. Bonds4

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

(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol (PubChem CID 2881527) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
PubChem CID2881527
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)14-10-8-13(2)9-11-14/h4-11,17,21H,3,12H2,1-2H3
InChIKeyJHGYDWJQXBVLNU-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methylphenyl)-(1-propylbenzimidazol-2-yl)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 (4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The IUPAC name of (4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol (CID 2881527) is (4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The canonical SMILES for (4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol is CCCn1c(C(O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of (4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The InChIKey is JHGYDWJQXBVLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)14-10-8-13(2)9-11-14/h4-11,17,21H,3,12H2,1-2H3.
What are the key properties of (4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol?
(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol has a molecular weight of 280.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 2881527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).