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

C23H17ClF3N5O2 — CID 11540385

IUPACN-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3n2CC(N)=O)c1
InChIInChI=1S/C23H17ClF3N5O2/c1-12-14(7-9-19(29-12)23(25,26)27)22(34)30-13-6-8-16(24)15(10-13)21-31-17-4-2-3-5-18(17)32(21)11-20(28)33/h2-10H,11H2,1H3,(H2,28,33)(H,30,34)
InChIKeyDSMBFZLFYJKUDZ-UHFFFAOYSA-N
MW487.87 g/mol
LogP4.82
Rot. Bonds5

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

N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 11540385) has the molecular formula C23H17ClF3N5O2 and a molecular weight of 487.87 g/mol. Its IUPAC name is N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID11540385
Molecular FormulaC23H17ClF3N5O2
Molecular Weight487.87 g/mol
Exact Mass487.10
IUPAC NameN-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3n2CC(N)=O)c1
InChIInChI=1S/C23H17ClF3N5O2/c1-12-14(7-9-19(29-12)23(25,26)27)22(34)30-13-6-8-16(24)15(10-13)21-31-17-4-2-3-5-18(17)32(21)11-20(28)33/h2-10H,11H2,1H3,(H2,28,33)(H,30,34)
InChIKeyDSMBFZLFYJKUDZ-UHFFFAOYSA-N
XLogP4.82
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.87
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 11540385) is N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3n2CC(N)=O)c1.
What is the InChIKey of N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DSMBFZLFYJKUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N5O2/c1-12-14(7-9-19(29-12)23(25,26)27)22(34)30-13-6-8-16(24)15(10-13)21-31-17-4-2-3-5-18(17)32(21)11-20(28)33/h2-10H,11H2,1H3,(H2,28,33)(H,30,34).
What are the key properties of N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 487.87 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11540385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).