1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol

C14H16F2N2O — CID 115819194

IUPAC1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
SMILESCCn1ccnc1CC(O)Cc1cccc(F)c1F
InChIInChI=1S/C14H16F2N2O/c1-2-18-7-6-17-13(18)9-11(19)8-10-4-3-5-12(15)14(10)16/h3-7,11,19H,2,8-9H2,1H3
InChIKeyWARLWMHTGODQIZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.33
Rot. Bonds5

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

1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol (PubChem CID 115819194) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
PubChem CID115819194
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
SMILESCCn1ccnc1CC(O)Cc1cccc(F)c1F
InChIInChI=1S/C14H16F2N2O/c1-2-18-7-6-17-13(18)9-11(19)8-10-4-3-5-12(15)14(10)16/h3-7,11,19H,2,8-9H2,1H3
InChIKeyWARLWMHTGODQIZ-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 79753096
1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol
CID 79752865
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 105112243
N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730
1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105112400
1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751631
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
CID 105112307
1-(2,6-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744137
1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009254

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol (CID 115819194) is 1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol is CCn1ccnc1CC(O)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol?
The InChIKey is WARLWMHTGODQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-2-18-7-6-17-13(18)9-11(19)8-10-4-3-5-12(15)14(10)16/h3-7,11,19H,2,8-9H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol?
1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol has a molecular weight of 266.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 115819194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).