2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole

C29H35ClN6S — CID 24762115

IUPAC2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(N3CCN(c4cc5c(cc4Cl)nc(C)n5CCN4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C29H35ClN6S/c1-21-6-8-23(9-7-21)26-20-37-29(32-26)35-15-13-34(14-16-35)27-19-28-25(18-24(27)30)31-22(2)36(28)17-12-33-10-4-3-5-11-33/h6-9,18-20H,3-5,10-17H2,1-2H3
InChIKeyPTKWYYZULQHUEI-UHFFFAOYSA-N
MW535.16 g/mol
LogP6.24
Rot. Bonds6

About 2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole

2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 24762115) has the molecular formula C29H35ClN6S and a molecular weight of 535.16 g/mol. Its IUPAC name is 2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
PubChem CID24762115
Molecular FormulaC29H35ClN6S
Molecular Weight535.16 g/mol
Exact Mass534.23
IUPAC Name2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(N3CCN(c4cc5c(cc4Cl)nc(C)n5CCN4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C29H35ClN6S/c1-21-6-8-23(9-7-21)26-20-37-29(32-26)35-15-13-34(14-16-35)27-19-28-25(18-24(27)30)31-22(2)36(28)17-12-33-10-4-3-5-11-33/h6-9,18-20H,3-5,10-17H2,1-2H3
InChIKeyPTKWYYZULQHUEI-UHFFFAOYSA-N
XLogP6.24
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.16
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-6-(4-(4-methylthiazol-2-yl)piperazin-1-yl)-2-(pyridin-4-yl)-1-(3-(pyrrolidin-1-yl)propyl)-1H-benzo[d]imidazole
CID 24762112
3-(5-Chloro-2-{1-[4-(4-fluoro-phenyl)-thiazol-2-ylamino]-ethyl}-6-piperidin-1-yl-benzoimidazol-1-yl)-propan-1-ol
CID 23724099
2-[2-(5-Chloro-2-{1-[4-(4-fluoro-phenyl)-thiazol-2-ylamino]-ethyl}-6-piperidin-1-yl-benzoimidazol-1-yl)-ethoxy]-ethanol
CID 23724110
3-(2-{1-[4-(4-Amino-3,5-dichloro-phenyl)-thiazol-2-yl]-pyrrolidin-2-yl}-5-chloro-6-piperidin-1-yl-benzoimidazol-1-yl)-propan-1-ol
CID 23724137
1-(2-(piperidin-1-yl)ethyl)-2-(pyridin-4-yl)-6-(4-(4-p-tolylthiazol-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 24762113
5-Chloro-6-piperidin-1-yl-1-propyl-2-[1-(4-p-tolyl-thiazol-2-yl)-pyrrolidin-2-yl]-1H-benzoimidazole
CID 24789399
[1-(5,6-Dichloro-1-propyl-1H-benzoimidazol-2-yl)-ethyl]-(4-p-tolyl-thiazol-2-yl)-amine
CID 24789402
[4-(4-Chloro-3-nitro-phenyl)-thiazol-2-yl]-[1-(5-chloro-6-piperidin-1-yl-1-propyl-1H-benzoimidazol-2-yl)-ethyl]-amine
CID 24789414
2-(2-(5-chloro-2-(pyridin-4-yl)-6-(4-(4-p-tolylthiazol-2-yl)piperazin-1-yl)-1H-benzo[d]imidazol-1-yl)ethoxy)ethanol
CID 24793384
{1-[5,6-Dichloro-1-(4-methyl-benzyl)-1H-benzoimidazol-2-yl]-ethyl}-(4-p-tolyl-thiazol-2-yl)-amine
CID 24793603
2-(4-(3-(2-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)propyl)piperazin-1-yl)-4-p-tolylthiazole
CID 24817248
3-{5-Chloro-2-[1-(4-methyl-thiazol-2-yl)-pyrrolidin-2-yl]-6-piperidin-1-yl-benzoimidazol-1-yl}-propan-1-ol
CID 23724095

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole (CID 24762115) is 2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(N3CCN(c4cc5c(cc4Cl)nc(C)n5CCN4CCCCC4)CC3)n2)cc1.
What is the InChIKey of 2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is PTKWYYZULQHUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN6S/c1-21-6-8-23(9-7-21)26-20-37-29(32-26)35-15-13-34(14-16-35)27-19-28-25(18-24(27)30)31-22(2)36(28)17-12-33-10-4-3-5-11-33/h6-9,18-20H,3-5,10-17H2,1-2H3.
What are the key properties of 2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole?
2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 535.16 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)benzimidazol-5-yl]piperazin-1-yl]-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 24762115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).