1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol

C14H16F2N2O — CID 114529701

IUPAC1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1CCC(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O/c1-18-5-4-17-14(18)3-2-13(19)8-10-6-11(15)9-12(16)7-10/h4-7,9,13,19H,2-3,8H2,1H3
InChIKeyDJIJCGDNBJFDKR-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.23
Rot. Bonds5

About 1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol

1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol (PubChem CID 114529701) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
PubChem CID114529701
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1CCC(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O/c1-18-5-4-17-14(18)3-2-13(19)8-10-6-11(15)9-12(16)7-10/h4-7,9,13,19H,2-3,8H2,1H3
InChIKeyDJIJCGDNBJFDKR-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751415
1-(3,5-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751311
1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529771
1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 79753096
4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
CID 105130936
5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 115838049
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622
1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105113610
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
1-(4-bromo-2,6-difluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837980
[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 105340372
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol (CID 114529701) is 1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol is Cn1ccnc1CCC(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol?
The InChIKey is DJIJCGDNBJFDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-18-5-4-17-14(18)3-2-13(19)8-10-6-11(15)9-12(16)7-10/h4-7,9,13,19H,2-3,8H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol?
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol has a molecular weight of 266.29 g/mol, XLogP of 2.23, 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)-4-(1-methylimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 114529701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).