4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide

C23H25ClN6OS — CID 46834901

IUPAC4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
SMILESCN(C)CCN(C)Cc1ccc2ncn(-c3nc(-c4cccc(Cl)c4)c(C(N)=O)s3)c2c1
InChIInChI=1S/C23H25ClN6OS/c1-28(2)9-10-29(3)13-15-7-8-18-19(11-15)30(14-26-18)23-27-20(21(32-23)22(25)31)16-5-4-6-17(24)12-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,25,31)
InChIKeyIDLVSYMQCIGRBA-UHFFFAOYSA-N
MW469.01 g/mol
LogP3.89
Rot. Bonds8

About 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide

4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 46834901) has the molecular formula C23H25ClN6OS and a molecular weight of 469.01 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID46834901
Molecular FormulaC23H25ClN6OS
Molecular Weight469.01 g/mol
Exact Mass468.15
IUPAC Name4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
SMILESCN(C)CCN(C)Cc1ccc2ncn(-c3nc(-c4cccc(Cl)c4)c(C(N)=O)s3)c2c1
InChIInChI=1S/C23H25ClN6OS/c1-28(2)9-10-29(3)13-15-7-8-18-19(11-15)30(14-26-18)23-27-20(21(32-23)22(25)31)16-5-4-6-17(24)12-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,25,31)
InChIKeyIDLVSYMQCIGRBA-UHFFFAOYSA-N
XLogP3.89
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]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-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
CID 46831769
4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
CID 46834903
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-(4-morpholin-4-ylbutoxy)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
CID 46832305
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-(5,6-dimethoxybenzimidazol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 23654019
2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 23653735
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
2-(5,6-dimethoxybenzimidazol-1-yl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 23654207
2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid;2-[6-(2-methoxyethoxy)benzimidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 161416716
3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol
CID 141266607
4-(3-chlorophenyl)-2-[5-[2-(4-methylpiperazin-1-yl)ethyl]-2-nitroanilino]-1,3-thiazole-5-carboxamide
CID 86642813

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide (CID 46834901) is 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide is CN(C)CCN(C)Cc1ccc2ncn(-c3nc(-c4cccc(Cl)c4)c(C(N)=O)s3)c2c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is IDLVSYMQCIGRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6OS/c1-28(2)9-10-29(3)13-15-7-8-18-19(11-15)30(14-26-18)23-27-20(21(32-23)22(25)31)16-5-4-6-17(24)12-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,25,31).
What are the key properties of 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 469.01 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-[6-[[2-(dimethylamino)ethyl-methylamino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46834901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).