1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol

C13H14ClFN2O — CID 79751317

IUPAC1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O/c1-17-6-5-16-13(17)8-9(18)7-10-11(14)3-2-4-12(10)15/h2-6,9,18H,7-8H2,1H3
InChIKeyASEGPXIQUJOIHT-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.36
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol

1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol (PubChem CID 79751317) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
PubChem CID79751317
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O/c1-17-6-5-16-13(17)8-9(18)7-10-11(14)3-2-4-12(10)15/h2-6,9,18H,7-8H2,1H3
InChIKeyASEGPXIQUJOIHT-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63975018
1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751415
1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761475
N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974962
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011269
1-[(2-chloro-6-fluorophenyl)methyl]-1,2-dimethyl-3-[(1-methylimidazol-2-yl)methyl]guanidine
CID 119131664
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide
CID 91784001
[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105216048
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322944
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 107994332

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol (CID 79751317) is 1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol is Cn1ccnc1CC(O)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol?
The InChIKey is ASEGPXIQUJOIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-17-6-5-16-13(17)8-9(18)7-10-11(14)3-2-4-12(10)15/h2-6,9,18H,7-8H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol?
1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol has a molecular weight of 268.72 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79751317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).