1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol

C17H17ClN2O2 — CID 16553417

IUPAC1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol
SMILESOC(COCc1ccc(Cl)cc1)Cn1cnc2ccccc21
InChIInChI=1S/C17H17ClN2O2/c18-14-7-5-13(6-8-14)10-22-11-15(21)9-20-12-19-16-3-1-2-4-17(16)20/h1-8,12,15,21H,9-11H2
InChIKeyBTURLNYBSLUEJB-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.27
Rot. Bonds6

About 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol

1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol (PubChem CID 16553417) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol
PubChem CID16553417
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol
SMILESOC(COCc1ccc(Cl)cc1)Cn1cnc2ccccc21
InChIInChI=1S/C17H17ClN2O2/c18-14-7-5-13(6-8-14)10-22-11-15(21)9-20-12-19-16-3-1-2-4-17(16)20/h1-8,12,15,21H,9-11H2
InChIKeyBTURLNYBSLUEJB-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol 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

(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 800546
1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 23992237
1-(benzimidazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 583226
(2R)-1-(benzimidazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 1120288
1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 105086748
(2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 981301
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol
CID 62269353
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
1-(4-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol;dihydrochloride
CID 46736435
1-(5,6-dimethylbenzimidazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 18087060

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol (CID 16553417) is 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol is OC(COCc1ccc(Cl)cc1)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The InChIKey is BTURLNYBSLUEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-14-7-5-13(6-8-14)10-22-11-15(21)9-20-12-19-16-3-1-2-4-17(16)20/h1-8,12,15,21H,9-11H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol has a molecular weight of 316.79 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 16553417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).