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

C17H19F3N4O — CID 138403701

IUPAC2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2cn(C(C)c3ccc(C(F)(F)F)cc3)cn2)N1
InChIInChI=1S/C17H19F3N4O/c1-10(12-3-5-13(6-4-12)17(18,19)20)24-8-15(21-9-24)14-7-16(25)23-11(2)22-14/h3-6,8-11,14,22H,7H2,1-2H3,(H,23,25)
InChIKeyINFVGCNGOZWMBL-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.01
Rot. Bonds3

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

2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one (PubChem CID 138403701) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one
PubChem CID138403701
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2cn(C(C)c3ccc(C(F)(F)F)cc3)cn2)N1
InChIInChI=1S/C17H19F3N4O/c1-10(12-3-5-13(6-4-12)17(18,19)20)24-8-15(21-9-24)14-7-16(25)23-11(2)22-14/h3-6,8-11,14,22H,7H2,1-2H3,(H,23,25)
InChIKeyINFVGCNGOZWMBL-UHFFFAOYSA-N
XLogP3.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one?
The IUPAC name of 2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one (CID 138403701) is 2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one.
What is the SMILES notation for 2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one?
The canonical SMILES for 2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one is CC1NC(=O)CC(c2cn(C(C)c3ccc(C(F)(F)F)cc3)cn2)N1.
What is the InChIKey of 2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one?
The InChIKey is INFVGCNGOZWMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-10(12-3-5-13(6-4-12)17(18,19)20)24-8-15(21-9-24)14-7-16(25)23-11(2)22-14/h3-6,8-11,14,22H,7H2,1-2H3,(H,23,25).
What are the key properties of 2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one?
2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one has a molecular weight of 352.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-1,3-diazinan-4-one is sourced from PubChem (CID 138403701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).