4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide

C23H22ClN5OS — CID 46834903

IUPAC4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccc(CN4CCCCC4)cc32)nc1-c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN5OS/c24-17-6-4-5-16(12-17)20-21(22(25)30)31-23(27-20)29-14-26-18-8-7-15(11-19(18)29)13-28-9-2-1-3-10-28/h4-8,11-12,14H,1-3,9-10,13H2,(H2,25,30)
InChIKeyXUHYMKMTEMBTEE-UHFFFAOYSA-N
MW451.98 g/mol
LogP4.89
Rot. Bonds5

About 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide

4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 46834903) has the molecular formula C23H22ClN5OS and a molecular weight of 451.98 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID46834903
Molecular FormulaC23H22ClN5OS
Molecular Weight451.98 g/mol
Exact Mass451.12
IUPAC Name4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccc(CN4CCCCC4)cc32)nc1-c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN5OS/c24-17-6-4-5-16(12-17)20-21(22(25)30)31-23(27-20)29-14-26-18-8-7-15(11-19(18)29)13-28-9-2-1-3-10-28/h4-8,11-12,14H,1-3,9-10,13H2,(H2,25,30)
InChIKeyXUHYMKMTEMBTEE-UHFFFAOYSA-N
XLogP4.89
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
CID 46834901
4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
CID 46834902
4-(3-chlorophenyl)-2-[6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
CID 46831769
4-(3-chlorophenyl)-2-[5-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxylic acid
CID 67445163
4-(3-chlorophenyl)-2-[6-(4-morpholin-4-ylbutoxy)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
CID 46832305
2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 23653735
4-(3-chlorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 23654019
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole
CID 158199390
2-(5,6-dimethoxybenzimidazol-1-yl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 23654207
2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 58957315
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide (CID 46834903) is 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1sc(-n2cnc3ccc(CN4CCCCC4)cc32)nc1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is XUHYMKMTEMBTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5OS/c24-17-6-4-5-16(12-17)20-21(22(25)30)31-23(27-20)29-14-26-18-8-7-15(11-19(18)29)13-28-9-2-1-3-10-28/h4-8,11-12,14H,1-3,9-10,13H2,(H2,25,30).
What are the key properties of 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 451.98 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46834903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).