(1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol

C16H14Cl2N2O2 — CID 94379798

IUPAC(1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
SMILESOCc1nc2ccccc2n1C[C@@H](O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c17-10-5-6-12(18)11(7-10)15(22)8-20-14-4-2-1-3-13(14)19-16(20)9-21/h1-7,15,21-22H,8-9H2/t15-/m1/s1
InChIKeyMNEABOALEWFSLB-OAHLLOKOSA-N
MW337.21 g/mol
LogP3.57
Rot. Bonds4

About (1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol

(1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol (PubChem CID 94379798) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is (1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
PubChem CID94379798
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
SMILESOCc1nc2ccccc2n1C[C@@H](O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c17-10-5-6-12(18)11(7-10)15(22)8-20-14-4-2-1-3-13(14)19-16(20)9-21/h1-7,15,21-22H,8-9H2/t15-/m1/s1
InChIKeyMNEABOALEWFSLB-OAHLLOKOSA-N
XLogP3.57
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379793
1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 111629898
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 110897801
(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94032041
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
CID 63105059
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
CID 1248606
(1S)-1-(2,4-difluorophenyl)-2-[2-[[(3S)-1,1-dioxothiolan-3-yl]methyl]benzimidazol-1-yl]ethanol
CID 94386657
(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol
CID 94379783
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of (1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol (CID 94379798) is (1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol is OCc1nc2ccccc2n1C[C@@H](O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
The InChIKey is MNEABOALEWFSLB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-10-5-6-12(18)11(7-10)15(22)8-20-14-4-2-1-3-13(14)19-16(20)9-21/h1-7,15,21-22H,8-9H2/t15-/m1/s1.
What are the key properties of (1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol?
(1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol has a molecular weight of 337.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 94379798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).