(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol

C16H15ClN2O2 — CID 94379793

IUPAC(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
SMILESOCc1nc2ccccc2n1C[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c17-12-6-2-1-5-11(12)15(21)9-19-14-8-4-3-7-13(14)18-16(19)10-20/h1-8,15,20-21H,9-10H2/t15-/m1/s1
InChIKeyOHIQPYKRXFOJJH-OAHLLOKOSA-N
MW302.76 g/mol
LogP2.92
Rot. Bonds4

About (1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol

(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol (PubChem CID 94379793) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
PubChem CID94379793
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
SMILESOCc1nc2ccccc2n1C[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c17-12-6-2-1-5-11(12)15(21)9-19-14-8-4-3-7-13(14)18-16(19)10-20/h1-8,15,20-21H,9-10H2/t15-/m1/s1
InChIKeyOHIQPYKRXFOJJH-OAHLLOKOSA-N
XLogP2.92
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379798
2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 110897801
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 111629898
(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94032041
N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide
CID 52515056
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
CID 63105059
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-chlorophenyl)ethanol
CID 2858915
2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 56837220
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
CID 1248606
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of (1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol (CID 94379793) is (1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol is OCc1nc2ccccc2n1C[C@@H](O)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The InChIKey is OHIQPYKRXFOJJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-12-6-2-1-5-11(12)15(21)9-19-14-8-4-3-7-13(14)18-16(19)10-20/h1-8,15,20-21H,9-10H2/t15-/m1/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol has a molecular weight of 302.76 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 94379793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).