4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide

C24H25ClN6OS — CID 46834902

IUPAC4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
SMILESCN1CCC(NCc2ccc3ncn(-c4nc(-c5cccc(Cl)c5)c(C(N)=O)s4)c3c2)CC1
InChIInChI=1S/C24H25ClN6OS/c1-30-9-7-18(8-10-30)27-13-15-5-6-19-20(11-15)31(14-28-19)24-29-21(22(33-24)23(26)32)16-3-2-4-17(25)12-16/h2-6,11-12,14,18,27H,7-10,13H2,1H3,(H2,26,32)
InChIKeyYHQVGFGMOJMNHP-UHFFFAOYSA-N
MW481.03 g/mol
LogP4.09
Rot. Bonds6

About 4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide

4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 46834902) has the molecular formula C24H25ClN6OS and a molecular weight of 481.03 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID46834902
Molecular FormulaC24H25ClN6OS
Molecular Weight481.03 g/mol
Exact Mass480.15
IUPAC Name4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
SMILESCN1CCC(NCc2ccc3ncn(-c4nc(-c5cccc(Cl)c5)c(C(N)=O)s4)c3c2)CC1
InChIInChI=1S/C24H25ClN6OS/c1-30-9-7-18(8-10-30)27-13-15-5-6-19-20(11-15)31(14-28-19)24-29-21(22(33-24)23(26)32)16-3-2-4-17(25)12-16/h2-6,11-12,14,18,27H,7-10,13H2,1H3,(H2,26,32)
InChIKeyYHQVGFGMOJMNHP-UHFFFAOYSA-N
XLogP4.09
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.03
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
CID 46834903
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
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
N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
4-(3-chlorophenyl)-2-[5-[2-(4-methylpiperazin-1-yl)ethyl]-2-nitroanilino]-1,3-thiazole-5-carboxamide
CID 86642813
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
5-(6-chlorobenzimidazol-1-yl)-3-[1-[2-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]ethoxy]thiophene-2-carboxamide
CID 68573994
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide (CID 46834902) is 4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide is CN1CCC(NCc2ccc3ncn(-c4nc(-c5cccc(Cl)c5)c(C(N)=O)s4)c3c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YHQVGFGMOJMNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6OS/c1-30-9-7-18(8-10-30)27-13-15-5-6-19-20(11-15)31(14-28-19)24-29-21(22(33-24)23(26)32)16-3-2-4-17(25)12-16/h2-6,11-12,14,18,27H,7-10,13H2,1H3,(H2,26,32).
What are the key properties of 4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide?
4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 481.03 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-[6-[[(1-methylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46834902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).