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

C22H13ClF6N4O — CID 11526178

IUPACN-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C22H13ClF6N4O/c1-10-13(4-7-18(30-10)22(27,28)29)20(34)31-12-3-5-15(23)14(9-12)19-32-16-6-2-11(21(24,25)26)8-17(16)33-19/h2-9H,1H3,(H,31,34)(H,32,33)
InChIKeyBTZODSQRXZZPJW-UHFFFAOYSA-N
MW498.81 g/mol
LogP6.88
Rot. Bonds3

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

N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 11526178) has the molecular formula C22H13ClF6N4O and a molecular weight of 498.81 g/mol. Its IUPAC name is N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID11526178
Molecular FormulaC22H13ClF6N4O
Molecular Weight498.81 g/mol
Exact Mass498.07
IUPAC NameN-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C22H13ClF6N4O/c1-10-13(4-7-18(30-10)22(27,28)29)20(34)31-12-3-5-15(23)14(9-12)19-32-16-6-2-11(21(24,25)26)8-17(16)33-19/h2-9H,1H3,(H,31,34)(H,32,33)
InChIKeyBTZODSQRXZZPJW-UHFFFAOYSA-N
XLogP6.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.81
LogP ≤ 56.88
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-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 11526178) is N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BTZODSQRXZZPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF6N4O/c1-10-13(4-7-18(30-10)22(27,28)29)20(34)31-12-3-5-15(23)14(9-12)19-32-16-6-2-11(21(24,25)26)8-17(16)33-19/h2-9H,1H3,(H,31,34)(H,32,33).
What are the key properties of N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 498.81 g/mol, XLogP of 6.88, 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-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11526178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).