2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile

C12H9F3N4 — CID 139782013

IUPAC2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile
SMILESCCc1ccc(-c2nc(C#N)c(C(F)(F)F)[nH]2)nc1
InChIInChI=1S/C12H9F3N4/c1-2-7-3-4-8(17-6-7)11-18-9(5-16)10(19-11)12(13,14)15/h3-4,6H,2H2,1H3,(H,18,19)
InChIKeySCTBPSYYYRHCTE-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.92
Rot. Bonds2

About 2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile

2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile (PubChem CID 139782013) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile
PubChem CID139782013
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile
SMILESCCc1ccc(-c2nc(C#N)c(C(F)(F)F)[nH]2)nc1
InChIInChI=1S/C12H9F3N4/c1-2-7-3-4-8(17-6-7)11-18-9(5-16)10(19-11)12(13,14)15/h3-4,6H,2H2,1H3,(H,18,19)
InChIKeySCTBPSYYYRHCTE-UHFFFAOYSA-N
XLogP2.92
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile (CID 139782013) is 2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile is CCc1ccc(-c2nc(C#N)c(C(F)(F)F)[nH]2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile?
The InChIKey is SCTBPSYYYRHCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c1-2-7-3-4-8(17-6-7)11-18-9(5-16)10(19-11)12(13,14)15/h3-4,6H,2H2,1H3,(H,18,19).
What are the key properties of 2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile?
2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile has a molecular weight of 266.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-5-(trifluoromethyl)-1H-imidazole-4-carbonitrile is sourced from PubChem (CID 139782013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).