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

C13H15FN2O — CID 79751415

IUPAC1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(O)Cc1cccc(F)c1
InChIInChI=1S/C13H15FN2O/c1-16-6-5-15-13(16)9-12(17)8-10-3-2-4-11(14)7-10/h2-7,12,17H,8-9H2,1H3
InChIKeyBRWIHYQLLUHBRG-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.71
Rot. Bonds4

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

1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol (PubChem CID 79751415) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
PubChem CID79751415
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(O)Cc1cccc(F)c1
InChIInChI=1S/C13H15FN2O/c1-16-6-5-15-13(16)9-12(17)8-10-3-2-4-11(14)7-10/h2-7,12,17H,8-9H2,1H3
InChIKeyBRWIHYQLLUHBRG-UHFFFAOYSA-N
XLogP1.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
CID 115634136
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
2-[(3-fluorophenyl)methyl]-N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114531376
1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105113610
1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751317
1-(3,5-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751311
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 79753096
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 79761514

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol (CID 79751415) is 1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol is Cn1ccnc1CC(O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol?
The InChIKey is BRWIHYQLLUHBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-16-6-5-15-13(16)9-12(17)8-10-3-2-4-11(14)7-10/h2-7,12,17H,8-9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol?
1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol has a molecular weight of 234.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79751415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).