N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide

C22H18F3N5O3 — CID 166364749

IUPACN-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1
InChIInChI=1S/C22H18F3N5O3/c1-11-17(28-18(26-11)12-5-4-6-13(9-12)22(23,24)25)19(31)27-14-7-8-15-16(10-14)29(2)21(33)30(3)20(15)32/h4-10H,1-3H3,(H,26,28)(H,27,31)
InChIKeyXYHKBATVHKRJKJ-UHFFFAOYSA-N
MW457.41 g/mol
LogP3.21
Rot. Bonds3

About N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide

N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide (PubChem CID 166364749) has the molecular formula C22H18F3N5O3 and a molecular weight of 457.41 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
PubChem CID166364749
Molecular FormulaC22H18F3N5O3
Molecular Weight457.41 g/mol
Exact Mass457.14
IUPAC NameN-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1
InChIInChI=1S/C22H18F3N5O3/c1-11-17(28-18(26-11)12-5-4-6-13(9-12)22(23,24)25)19(31)27-14-7-8-15-16(10-14)29(2)21(33)30(3)20(15)32/h4-10H,1-3H3,(H,26,28)(H,27,31)
InChIKeyXYHKBATVHKRJKJ-UHFFFAOYSA-N
XLogP3.21
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide
CID 58552851
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-[3-[cyclopropyl(difluoro)methyl]phenyl]-2-[3-(2,6-dimethylphenyl)-5-phenylphenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376760
4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide
CID 45255145
5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 153289392
N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide
CID 45255149
4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365060
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
2-[3-(trifluoromethyl)phenyl]quinazoline-4-carboxylic acid
CID 90410657
2-methyl-6-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698735
N-[4-[3-(2-methylpropoxy)-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-4-phenylbenzamide
CID 42665287

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide (CID 166364749) is N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
The InChIKey is XYHKBATVHKRJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3/c1-11-17(28-18(26-11)12-5-4-6-13(9-12)22(23,24)25)19(31)27-14-7-8-15-16(10-14)29(2)21(33)30(3)20(15)32/h4-10H,1-3H3,(H,26,28)(H,27,31).
What are the key properties of N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide has a molecular weight of 457.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 166364749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).