1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol

C15H18F2N2O — CID 79751631

IUPAC1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCn1ccnc1CC(O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2O/c1-2-6-19-7-5-18-15(19)10-13(20)8-11-3-4-12(16)9-14(11)17/h3-5,7,9,13,20H,2,6,8,10H2,1H3
InChIKeyHCXSQCYHZUPXHA-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.72
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol

1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol (PubChem CID 79751631) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
PubChem CID79751631
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCn1ccnc1CC(O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2O/c1-2-6-19-7-5-18-15(19)10-13(20)8-11-3-4-12(16)9-14(11)17/h3-5,7,9,13,20H,2,6,8,10H2,1H3
InChIKeyHCXSQCYHZUPXHA-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751311
[1-(2,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105216699
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79762429
1-(2,6-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744137
1-(2-fluoro-5-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115820989
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 115819194
1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 79753096

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol (CID 79751631) is 1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol is CCCn1ccnc1CC(O)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol?
The InChIKey is HCXSQCYHZUPXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-2-6-19-7-5-18-15(19)10-13(20)8-11-3-4-12(16)9-14(11)17/h3-5,7,9,13,20H,2,6,8,10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol?
1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol has a molecular weight of 280.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79751631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).