1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide

C20H14F3N5O — CID 156577181

IUPAC1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide
SMILESCn1c(-c2cccc3ncccc23)cnc1C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N5O/c1-28-16(14-4-2-6-15-13(14)5-3-8-24-15)11-26-18(28)19(29)27-12-7-9-25-17(10-12)20(21,22)23/h2-11H,1H3,(H,25,27,29)
InChIKeyIVBMNKJABVMVJZ-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.30
Rot. Bonds3

About 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide

1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide (PubChem CID 156577181) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide
PubChem CID156577181
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide
SMILESCn1c(-c2cccc3ncccc23)cnc1C(=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N5O/c1-28-16(14-4-2-6-15-13(14)5-3-8-24-15)11-26-18(28)19(29)27-12-7-9-25-17(10-12)20(21,22)23/h2-11H,1H3,(H,25,27,29)
InChIKeyIVBMNKJABVMVJZ-UHFFFAOYSA-N
XLogP4.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-quinolin-5-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134610182
6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
CID 156577127
1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093563
4-cyclopropyl-3-(2-methylbenzotriazol-4-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
CID 171095920
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
N-[2-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]quinoline-5-carboxamide
CID 166200461
3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093682
N-(4-carbamoyl-3-ethylphenyl)-5-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1-methylimidazole-2-carboxamide
CID 155119340
N-[3-chloro-4-(4,4-dimethylpiperazin-4-ium-1-carbonyl)phenyl]-1-methyl-5-[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazole-2-carboxamide formate
CID 175916119
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]quinoline-5-carboxamide
CID 166209151
1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134609753
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 163252999

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide (CID 156577181) is 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide is Cn1c(-c2cccc3ncccc23)cnc1C(=O)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide?
The InChIKey is IVBMNKJABVMVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c1-28-16(14-4-2-6-15-13(14)5-3-8-24-15)11-26-18(28)19(29)27-12-7-9-25-17(10-12)20(21,22)23/h2-11H,1H3,(H,25,27,29).
What are the key properties of 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide?
1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide is sourced from PubChem (CID 156577181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).