1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol

C14H16F2N2O — CID 79753096

IUPAC1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
SMILESCCn1ccnc1CC(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O/c1-2-18-4-3-17-14(18)9-13(19)7-10-5-11(15)8-12(16)6-10/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyBGEKKIPPXUDYHG-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.33
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol

1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol (PubChem CID 79753096) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
PubChem CID79753096
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
SMILESCCn1ccnc1CC(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O/c1-2-18-4-3-17-14(18)9-13(19)7-10-5-11(15)8-12(16)6-10/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyBGEKKIPPXUDYHG-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-(3,5-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751311
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
CID 105112307
1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 115819194
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105112405
1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312573
1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751415
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-methylpentan-2-ol
CID 79744876
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol
CID 105112379

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol (CID 79753096) is 1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol is CCn1ccnc1CC(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol?
The InChIKey is BGEKKIPPXUDYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-2-18-4-3-17-14(18)9-13(19)7-10-5-11(15)8-12(16)6-10/h3-6,8,13,19H,2,7,9H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol?
1-(3,5-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-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79753096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).