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

C23H17ClF3N5O2 — CID 11576739

IUPACN-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1
InChIInChI=1S/C23H17ClF3N5O2/c1-11-15(5-8-20(28-11)23(25,26)27)22(34)30-13-3-6-17(24)16(9-13)21-31-18-7-4-14(29-12(2)33)10-19(18)32-21/h3-10H,1-2H3,(H,29,33)(H,30,34)(H,31,32)
InChIKeyXGCCFRWZBKSPGK-UHFFFAOYSA-N
MW487.87 g/mol
LogP5.82
Rot. Bonds4

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

N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 11576739) has the molecular formula C23H17ClF3N5O2 and a molecular weight of 487.87 g/mol. Its IUPAC name is N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID11576739
Molecular FormulaC23H17ClF3N5O2
Molecular Weight487.87 g/mol
Exact Mass487.10
IUPAC NameN-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1
InChIInChI=1S/C23H17ClF3N5O2/c1-11-15(5-8-20(28-11)23(25,26)27)22(34)30-13-3-6-17(24)16(9-13)21-31-18-7-4-14(29-12(2)33)10-19(18)32-21/h3-10H,1-2H3,(H,29,33)(H,30,34)(H,31,32)
InChIKeyXGCCFRWZBKSPGK-UHFFFAOYSA-N
XLogP5.82
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.87
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 11576739) is N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CC(=O)Nc1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XGCCFRWZBKSPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N5O2/c1-11-15(5-8-20(28-11)23(25,26)27)22(34)30-13-3-6-17(24)16(9-13)21-31-18-7-4-14(29-12(2)33)10-19(18)32-21/h3-10H,1-2H3,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 487.87 g/mol, XLogP of 5.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11576739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).