2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol

C16H16N2O2 — CID 17479592

IUPAC2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
SMILESOCc1nc2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C16H16N2O2/c19-11-16-17-13-8-4-5-9-14(13)18(16)10-15(20)12-6-2-1-3-7-12/h1-9,15,19-20H,10-11H2
InChIKeyBSQWUSSAVILIRO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.26
Rot. Bonds4

About 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol

2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol (PubChem CID 17479592) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
PubChem CID17479592
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
SMILESOCc1nc2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C16H16N2O2/c19-11-16-17-13-8-4-5-9-14(13)18(16)10-15(20)12-6-2-1-3-7-12/h1-9,15,19-20H,10-11H2
InChIKeyBSQWUSSAVILIRO-UHFFFAOYSA-N
XLogP2.26
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.26
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
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17471163
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049
1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 11567786
(1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379798
1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 111629898
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
CID 1248606
(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 31062141
(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94032041
N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide
CID 25406903
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol (CID 17479592) is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol is OCc1nc2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol?
The InChIKey is BSQWUSSAVILIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-11-16-17-13-8-4-5-9-14(13)18(16)10-15(20)12-6-2-1-3-7-12/h1-9,15,19-20H,10-11H2.
What are the key properties of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol?
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol has a molecular weight of 268.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 17479592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).