1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol

C17H18N2O2 — CID 2876706

IUPAC1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)Cn1cnc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-15(12-21-11-14-6-2-1-3-7-14)10-19-13-18-16-8-4-5-9-17(16)19/h1-9,13,15,20H,10-12H2
InChIKeyKYZNTUNCLDSKEN-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.61
Rot. Bonds6

About 1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol

1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 2876706) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol
PubChem CID2876706
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)Cn1cnc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-15(12-21-11-14-6-2-1-3-7-14)10-19-13-18-16-8-4-5-9-17(16)19/h1-9,13,15,20H,10-12H2
InChIKeyKYZNTUNCLDSKEN-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzimidazol-1-yl)-3-phenylmethoxypropan-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

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol (CID 2876706) is 1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is KYZNTUNCLDSKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-15(12-21-11-14-6-2-1-3-7-14)10-19-13-18-16-8-4-5-9-17(16)19/h1-9,13,15,20H,10-12H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol?
1-(benzimidazol-1-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 282.34 g/mol, XLogP of 2.61, 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-phenylmethoxypropan-2-ol is sourced from PubChem (CID 2876706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).