1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide

C18H14F4N4O — CID 71720798

IUPAC1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(C(F)(F)F)n2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C18H14F4N4O/c1-10-16(23-11(2)26(10)13-8-6-12(19)7-9-13)17(27)25-15-5-3-4-14(24-15)18(20,21)22/h3-9H,1-2H3,(H,24,25,27)
InChIKeyADBAFBGWAUYPGA-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.29
Rot. Bonds3

About 1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide

1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 71720798) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID71720798
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC Name1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(C(F)(F)F)n2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C18H14F4N4O/c1-10-16(23-11(2)26(10)13-8-6-12(19)7-9-13)17(27)25-15-5-3-4-14(24-15)18(20,21)22/h3-9H,1-2H3,(H,24,25,27)
InChIKeyADBAFBGWAUYPGA-UHFFFAOYSA-N
XLogP4.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxamide
CID 71580330
N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenyl-1H-imidazole-4-carboxamide
CID 71580550
2-ethyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7599528
1-ethyl-3-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 15076567
CID 137452626
CID 137452626
Hbv-IN-17
CID 137452724
CID 137452752
CID 137452752
CID 137452756
CID 137452756
9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide
CID 5310314
N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 17393643
2,5-dimethyl-1-phenyl-N-(2-(trifluoromethyl)phenyl)-1H-imidazole-4-carboxamide
CID 53322288
1-(3,4-dichlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 71580331

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide (CID 71720798) is 1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide is Cc1nc(C(=O)Nc2cccc(C(F)(F)F)n2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is ADBAFBGWAUYPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c1-10-16(23-11(2)26(10)13-8-6-12(19)7-9-13)17(27)25-15-5-3-4-14(24-15)18(20,21)22/h3-9H,1-2H3,(H,24,25,27).
What are the key properties of 1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide?
1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 378.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 71720798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).