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

C14H17FN2O — CID 114832719

IUPAC1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(C)(O)Cc1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-14(18,10-13-16-7-8-17(13)2)9-11-5-3-4-6-12(11)15/h3-8,18H,9-10H2,1-2H3
InChIKeyPUGCKXKQERIBEX-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.10
Rot. Bonds4

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

1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol (PubChem CID 114832719) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
PubChem CID114832719
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(C)(O)Cc1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-14(18,10-13-16-7-8-17(13)2)9-11-5-3-4-6-12(11)15/h3-8,18H,9-10H2,1-2H3
InChIKeyPUGCKXKQERIBEX-UHFFFAOYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79744678
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832657
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79737849
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
(2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 10489998
N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530047
1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832715
3,3-dimethyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 81003658

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol (CID 114832719) is 1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol is Cn1ccnc1CC(C)(O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The InChIKey is PUGCKXKQERIBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-14(18,10-13-16-7-8-17(13)2)9-11-5-3-4-6-12(11)15/h3-8,18H,9-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol?
1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol has a molecular weight of 248.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 114832719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).