acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol

C15H19FN2O3 — CID 163340686

IUPACacetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol
SMILESCC(=O)O.Cc1ccc(-c2nccn2C[C@H](C)O)c(F)c1
InChIInChI=1S/C13H15FN2O.C2H4O2/c1-9-3-4-11(12(14)7-9)13-15-5-6-16(13)8-10(2)17;1-2(3)4/h3-7,10,17H,8H2,1-2H3;1H3,(H,3,4)/t10-;/m0./s1
InChIKeyZCGHQXUQYNHTLU-PPHPATTJSA-N
MW294.33 g/mol
LogP2.47
Rot. Bonds3

About acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol

acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol (PubChem CID 163340686) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Nameacetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol
PubChem CID163340686
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Nameacetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol
SMILESCC(=O)O.Cc1ccc(-c2nccn2C[C@H](C)O)c(F)c1
InChIInChI=1S/C13H15FN2O.C2H4O2/c1-9-3-4-11(12(14)7-9)13-15-5-6-16(13)8-10(2)17;1-2(3)4/h3-7,10,17H,8H2,1-2H3;1H3,(H,3,4)/t10-;/m0./s1
InChIKeyZCGHQXUQYNHTLU-PPHPATTJSA-N
XLogP2.47
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid
CID 82560884
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine
CID 70746755
1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol
CID 65277378
(2R)-1-[2-[4-(dimethylamino)phenyl]imidazol-1-yl]propan-2-ol
CID 155918021
N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 81447747
1-(2-hydroxypropyl)imidazole-2-carbaldehyde
CID 55267444
2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
CID 82561742
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292
3-(2-hydroxypropyl)-7-methylquinazolin-4-one
CID 117264166
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560528

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol?
The IUPAC name of acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol (CID 163340686) is acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol is CC(=O)O.Cc1ccc(-c2nccn2C[C@H](C)O)c(F)c1.
What is the InChIKey of acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol?
The InChIKey is ZCGHQXUQYNHTLU-PPHPATTJSA-N. The full InChI is InChI=1S/C13H15FN2O.C2H4O2/c1-9-3-4-11(12(14)7-9)13-15-5-6-16(13)8-10(2)17;1-2(3)4/h3-7,10,17H,8H2,1-2H3;1H3,(H,3,4)/t10-;/m0./s1.
What are the key properties of acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol?
acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol has a molecular weight of 294.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 163340686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).