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

C17H18F4N4O — CID 138403700

IUPAC6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2cn([C@@H](C)c3ccc(C(F)(F)F)cc3F)cn2)N1
InChIInChI=1S/C17H18F4N4O/c1-9(12-4-3-11(5-13(12)18)17(19,20)21)25-7-15(22-8-25)14-6-16(26)24-10(2)23-14/h3-5,7-10,14,23H,6H2,1-2H3,(H,24,26)/t9-,10?,14?/m0/s1
InChIKeyUZXUUNPGQHRWCG-IPWFMCSPSA-N
MW370.35 g/mol
LogP3.15
Rot. Bonds3

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

6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one (PubChem CID 138403700) has the molecular formula C17H18F4N4O and a molecular weight of 370.35 g/mol. Its IUPAC name is 6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one
PubChem CID138403700
Molecular FormulaC17H18F4N4O
Molecular Weight370.35 g/mol
Exact Mass370.14
IUPAC Name6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2cn([C@@H](C)c3ccc(C(F)(F)F)cc3F)cn2)N1
InChIInChI=1S/C17H18F4N4O/c1-9(12-4-3-11(5-13(12)18)17(19,20)21)25-7-15(22-8-25)14-6-16(26)24-10(2)23-14/h3-5,7-10,14,23H,6H2,1-2H3,(H,24,26)/t9-,10?,14?/m0/s1
InChIKeyUZXUUNPGQHRWCG-IPWFMCSPSA-N
XLogP3.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
6-((2-(1H-Imidazol-5-yl)ethyl)amino)-N-(4-(trifluoromethyl)phenyl)heptanamide
CID 124846
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
4-{5-[(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 9930818
(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-(1-Benzyl-2-oxo-pyrrolidin-3-ylamino)-ethyl]-imidazol-1-ylmethyl}-benzonitrile
CID 10894628
4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 10960344
4-{5-[2-(2-Oxo-1-phenethyl-pyrrolidin-3-ylamino)-ethyl]-imidazol-1-ylmethyl}-benzonitrile
CID 11004204

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one?
The IUPAC name of 6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one (CID 138403700) is 6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one?
The canonical SMILES for 6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one is CC1NC(=O)CC(c2cn([C@@H](C)c3ccc(C(F)(F)F)cc3F)cn2)N1.
What is the InChIKey of 6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one?
The InChIKey is UZXUUNPGQHRWCG-IPWFMCSPSA-N. The full InChI is InChI=1S/C17H18F4N4O/c1-9(12-4-3-11(5-13(12)18)17(19,20)21)25-7-15(22-8-25)14-6-16(26)24-10(2)23-14/h3-5,7-10,14,23H,6H2,1-2H3,(H,24,26)/t9-,10?,14?/m0/s1.
What are the key properties of 6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one?
6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one has a molecular weight of 370.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-2-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 138403700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).