2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide

C18H18F2N4O — CID 100682484

IUPAC2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)c(C)n1
InChIInChI=1S/C18H18F2N4O/c1-9-7-10(2)21-11(3)15(9)23-18(25)12-5-6-14-13(8-12)22-17(16(19)20)24(14)4/h5-8,16H,1-4H3,(H,23,25)
InChIKeyGYOFCGFJSLJKIM-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.08
Rot. Bonds3

About 2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide

2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide (PubChem CID 100682484) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide
PubChem CID100682484
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)c(C)n1
InChIInChI=1S/C18H18F2N4O/c1-9-7-10(2)21-11(3)15(9)23-18(25)12-5-6-14-13(8-12)22-17(16(19)20)24(14)4/h5-8,16H,1-4H3,(H,23,25)
InChIKeyGYOFCGFJSLJKIM-UHFFFAOYSA-N
XLogP4.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838373
azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone
CID 166179148
methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate
CID 78838290
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859603
6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78837599
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
1-acetyl-N-(2,4,6-trimethyl-3-pyridinyl)-2,3-dihydroindole-5-carboxamide
CID 78859744
4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859795
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide
CID 78859866
[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 136581636

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide (CID 100682484) is 2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide is Cc1cc(C)c(NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)c(C)n1.
What is the InChIKey of 2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide?
The InChIKey is GYOFCGFJSLJKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-9-7-10(2)21-11(3)15(9)23-18(25)12-5-6-14-13(8-12)22-17(16(19)20)24(14)4/h5-8,16H,1-4H3,(H,23,25).
What are the key properties of 2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide?
2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 100682484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).