N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C21H12ClF5N4O — CID 11539982

IUPACN-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C21H12ClF5N4O/c1-9-11(3-7-16(28-9)21(25,26)27)20(32)29-10-2-4-13(22)12(8-10)19-30-15-6-5-14(23)17(24)18(15)31-19/h2-8H,1H3,(H,29,32)(H,30,31)
InChIKeyJQOUGBSFZRWYBG-UHFFFAOYSA-N
MW466.80 g/mol
LogP6.14
Rot. Bonds3

About N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 11539982) has the molecular formula C21H12ClF5N4O and a molecular weight of 466.80 g/mol. Its IUPAC name is N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID11539982
Molecular FormulaC21H12ClF5N4O
Molecular Weight466.80 g/mol
Exact Mass466.06
IUPAC NameN-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C21H12ClF5N4O/c1-9-11(3-7-16(28-9)21(25,26)27)20(32)29-10-2-4-13(22)12(8-10)19-30-15-6-5-14(23)17(24)18(15)31-19/h2-8H,1H3,(H,29,32)(H,30,31)
InChIKeyJQOUGBSFZRWYBG-UHFFFAOYSA-N
XLogP6.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.80
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 11539982) is N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3c(F)c(F)ccc3[nH]2)c1.
What is the InChIKey of N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JQOUGBSFZRWYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF5N4O/c1-9-11(3-7-16(28-9)21(25,26)27)20(32)29-10-2-4-13(22)12(8-10)19-30-15-6-5-14(23)17(24)18(15)31-19/h2-8H,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 466.80 g/mol, XLogP of 6.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11539982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).