1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one

C14H16F3N3O — CID 72887207

IUPAC1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Cn1cncc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H16F3N3O/c1-10(2)7-20-9-18-6-11(20)8-19-5-3-4-12(13(19)21)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHMSKGNQLPKHMRK-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.77
Rot. Bonds4

About 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one

1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 72887207) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID72887207
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Cn1cncc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H16F3N3O/c1-10(2)7-20-9-18-6-11(20)8-19-5-3-4-12(13(19)21)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHMSKGNQLPKHMRK-UHFFFAOYSA-N
XLogP2.77
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethyl-1H-imidazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72845306
1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72878194
7-Fluoro-2-(4-methylimidazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89751688
4-[(2Z,4Z)-cycloocta-2,4,7-trien-1-yl]-1-methylimidazole;1-methyl-5-(trifluoromethyl)pyridin-2-one
CID 142888592
(4R)-5-amino-3,4-dimethyl-N-[(3E,5E)-9-(4-methylimidazol-1-yl)-3-(trifluoromethyl)nona-3,5-dien-5-yl]cyclohexa-1,5-diene-1-carboxamide
CID 144229189
2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide
CID 146323463
1-(Difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one
CID 146481792
6,8-Dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one
CID 167206768
N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]-2,2-dimethylpropanamide
CID 169875596
N-(1H-imidazol-5-ylmethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65680126
1-[3-(2-methyl-1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72854746
1-[(1-isobutyl-1H-imidazol-5-yl)methyl]-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72879415

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one (CID 72887207) is 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one is CC(C)Cn1cncc1Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is HMSKGNQLPKHMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-10(2)7-20-9-18-6-11(20)8-19-5-3-4-12(13(19)21)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 299.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72887207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).