6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one

C19H22F4N4O — CID 138403704

IUPAC6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2cn(C(c3ccc(C(F)(F)F)cc3F)C(C)C)cn2)N1
InChIInChI=1S/C19H22F4N4O/c1-10(2)18(13-5-4-12(6-14(13)20)19(21,22)23)27-8-16(24-9-27)15-7-17(28)26-11(3)25-15/h4-6,8-11,15,18,25H,7H2,1-3H3,(H,26,28)
InChIKeyNZRQKSUCZKPWJR-UHFFFAOYSA-N
MW398.40 g/mol
LogP3.78
Rot. Bonds4

About 6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one

6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one (PubChem CID 138403704) has the molecular formula C19H22F4N4O and a molecular weight of 398.40 g/mol. Its IUPAC name is 6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one
PubChem CID138403704
Molecular FormulaC19H22F4N4O
Molecular Weight398.40 g/mol
Exact Mass398.17
IUPAC Name6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2cn(C(c3ccc(C(F)(F)F)cc3F)C(C)C)cn2)N1
InChIInChI=1S/C19H22F4N4O/c1-10(2)18(13-5-4-12(6-14(13)20)19(21,22)23)27-8-16(24-9-27)15-7-17(28)26-11(3)25-15/h4-6,8-11,15,18,25H,7H2,1-3H3,(H,26,28)
InChIKeyNZRQKSUCZKPWJR-UHFFFAOYSA-N
XLogP3.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}-N-{5-Methyl-4-[4-(Trifluoromethyl)phenyl]-1h-Imidazol-2-Yl}pyridine-3-Carboxamide
CID 71059525
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 9862335
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 10238900
(3R)-3-amino-1-(4-benzyl-1-methyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 10255762
(3R)-1-(4-(4-fluorobenzyl)-1-methyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one
CID 10324641
(3R)-3-amino-1-(1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 10433039
12-Butanoyl-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 10893600
4-{5-[2-(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-ethyl]-imidazol-1-ylmethyl}-benzonitrile
CID 11004204
2-(2-Fluoro-phenyl)-8-propionyl-6,7,8,9-tetrahydro-5H-1,3a,5,8-tetraaza-cyclopenta[a]naphthalen-4-one
CID 11067772
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CID 11101729
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-2-piperidineacetamide
CID 16116294
N-cyano-4-[2-(1H-imidazol-5-yl)acetyl]-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide
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Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one?
The IUPAC name of 6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one (CID 138403704) is 6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one?
The canonical SMILES for 6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one is CC1NC(=O)CC(c2cn(C(c3ccc(C(F)(F)F)cc3F)C(C)C)cn2)N1.
What is the InChIKey of 6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one?
The InChIKey is NZRQKSUCZKPWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N4O/c1-10(2)18(13-5-4-12(6-14(13)20)19(21,22)23)27-8-16(24-9-27)15-7-17(28)26-11(3)25-15/h4-6,8-11,15,18,25H,7H2,1-3H3,(H,26,28).
What are the key properties of 6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one?
6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one has a molecular weight of 398.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 138403704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).