2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone

C11H9ClN2O2 — CID 57085316

IUPAC2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone
SMILESO=C(C(O)c1cccc(Cl)c1)n1ccnc1
InChIInChI=1S/C11H9ClN2O2/c12-9-3-1-2-8(6-9)10(15)11(16)14-5-4-13-7-14/h1-7,10,15H
InChIKeyYRXQVAFCFQMUDP-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.91
Rot. Bonds2

About 2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone

2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone (PubChem CID 57085316) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone
PubChem CID57085316
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone
SMILESO=C(C(O)c1cccc(Cl)c1)n1ccnc1
InChIInChI=1S/C11H9ClN2O2/c12-9-3-1-2-8(6-9)10(15)11(16)14-5-4-13-7-14/h1-7,10,15H
InChIKeyYRXQVAFCFQMUDP-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one
CID 82116505
2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 110464807
(1S)-1-(3-chlorophenyl)-1-hydroxy-3-methylbutan-2-one
CID 129386810
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
(3-chlorophenyl)methanediol
CID 20679602
(2S)-2-(3-chlorophenyl)-2-hydroxy-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
CID 95881067
3-(3-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
CID 72842125
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
CID 110463733
2-amino-1-imidazol-1-yl-3-phenylpropan-1-one
CID 110463444

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone?
The IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone (CID 57085316) is 2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone?
The canonical SMILES for 2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone is O=C(C(O)c1cccc(Cl)c1)n1ccnc1.
What is the InChIKey of 2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone?
The InChIKey is YRXQVAFCFQMUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-9-3-1-2-8(6-9)10(15)11(16)14-5-4-13-7-14/h1-7,10,15H.
What are the key properties of 2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone?
2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone has a molecular weight of 236.66 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone is sourced from PubChem (CID 57085316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).