4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide

C17H15F3N4O — CID 170367077

IUPAC4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
SMILESCc1cc(C(N)=O)nc(-c2nc3cc(C(F)(F)F)ccc3n2C)c1C
InChIInChI=1S/C17H15F3N4O/c1-8-6-12(15(21)25)22-14(9(8)2)16-23-11-7-10(17(18,19)20)4-5-13(11)24(16)3/h4-7H,1-3H3,(H2,21,25)
InChIKeyWZMRNQMXKFYFOR-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.37
Rot. Bonds2

About 4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide

4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide (PubChem CID 170367077) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
PubChem CID170367077
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
SMILESCc1cc(C(N)=O)nc(-c2nc3cc(C(F)(F)F)ccc3n2C)c1C
InChIInChI=1S/C17H15F3N4O/c1-8-6-12(15(21)25)22-14(9(8)2)16-23-11-7-10(17(18,19)20)4-5-13(11)24(16)3/h4-7H,1-3H3,(H2,21,25)
InChIKeyWZMRNQMXKFYFOR-UHFFFAOYSA-N
XLogP3.37
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide (CID 170367077) is 4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide is Cc1cc(C(N)=O)nc(-c2nc3cc(C(F)(F)F)ccc3n2C)c1C.
What is the InChIKey of 4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The InChIKey is WZMRNQMXKFYFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-8-6-12(15(21)25)22-14(9(8)2)16-23-11-7-10(17(18,19)20)4-5-13(11)24(16)3/h4-7H,1-3H3,(H2,21,25).
What are the key properties of 4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170367077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).