2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide

C12H10ClF3N4O2 — CID 146323463

IUPAC2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2cn(C(F)(F)F)c(Cl)n2)ccc1=O
InChIInChI=1S/C12H10ClF3N4O2/c1-2-19-5-7(3-4-9(19)21)17-10(22)8-6-20(11(13)18-8)12(14,15)16/h3-6H,2H2,1H3,(H,17,22)
InChIKeyBBOGZMAMXHGBFD-UHFFFAOYSA-N
MW334.69 g/mol
LogP2.45
Rot. Bonds3

About 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide

2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide (PubChem CID 146323463) has the molecular formula C12H10ClF3N4O2 and a molecular weight of 334.69 g/mol. Its IUPAC name is 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide
PubChem CID146323463
Molecular FormulaC12H10ClF3N4O2
Molecular Weight334.69 g/mol
Exact Mass334.04
IUPAC Name2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2cn(C(F)(F)F)c(Cl)n2)ccc1=O
InChIInChI=1S/C12H10ClF3N4O2/c1-2-19-5-7(3-4-9(19)21)17-10(22)8-6-20(11(13)18-8)12(14,15)16/h3-6H,2H2,1H3,(H,17,22)
InChIKeyBBOGZMAMXHGBFD-UHFFFAOYSA-N
XLogP2.45
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide (CID 146323463) is 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide is CCn1cc(NC(=O)c2cn(C(F)(F)F)c(Cl)n2)ccc1=O.
What is the InChIKey of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide?
The InChIKey is BBOGZMAMXHGBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O2/c1-2-19-5-7(3-4-9(19)21)17-10(22)8-6-20(11(13)18-8)12(14,15)16/h3-6H,2H2,1H3,(H,17,22).
What are the key properties of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide?
2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide has a molecular weight of 334.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-(trifluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 146323463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).