3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol

C12H13ClN2O2 — CID 82560593

IUPAC3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1ccnc1-c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O2/c13-10-3-1-2-9(6-10)12-14-4-5-15(12)7-11(17)8-16/h1-6,11,16-17H,7-8H2
InChIKeyMWCHMMFRJXXADA-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.56
Rot. Bonds4

About 3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol

3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol (PubChem CID 82560593) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
PubChem CID82560593
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1ccnc1-c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O2/c13-10-3-1-2-9(6-10)12-14-4-5-15(12)7-11(17)8-16/h1-6,11,16-17H,7-8H2
InChIKeyMWCHMMFRJXXADA-UHFFFAOYSA-N
XLogP1.56
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82559996
3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560779
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
(2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol
CID 96574228
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
3-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzenecarbothioamide
CID 82559182
3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82560016
2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561625
3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one
CID 114561672
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
3-[5-(3-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210298

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol (CID 82560593) is 3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol is OCC(O)Cn1ccnc1-c1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol?
The InChIKey is MWCHMMFRJXXADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-10-3-1-2-9(6-10)12-14-4-5-15(12)7-11(17)8-16/h1-6,11,16-17H,7-8H2.
What are the key properties of 3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol?
3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol has a molecular weight of 252.70 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82560593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).