2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole

C29H34ClN5S — CID 24789399

IUPAC2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCCCn1c(C2CCCN2c2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21
InChIInChI=1S/C29H34ClN5S/c1-3-13-34-27-18-26(33-14-5-4-6-15-33)22(30)17-23(27)31-28(34)25-8-7-16-35(25)29-32-24(19-36-29)21-11-9-20(2)10-12-21/h9-12,17-19,25H,3-8,13-16H2,1-2H3
InChIKeyVJURLYBKCXSDSY-UHFFFAOYSA-N
MW520.15 g/mol
LogP7.86
Rot. Bonds6

About 2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole

2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 24789399) has the molecular formula C29H34ClN5S and a molecular weight of 520.15 g/mol. Its IUPAC name is 2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
PubChem CID24789399
Molecular FormulaC29H34ClN5S
Molecular Weight520.15 g/mol
Exact Mass519.22
IUPAC Name2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCCCn1c(C2CCCN2c2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21
InChIInChI=1S/C29H34ClN5S/c1-3-13-34-27-18-26(33-14-5-4-6-15-33)22(30)17-23(27)31-28(34)25-8-7-16-35(25)29-32-24(19-36-29)21-11-9-20(2)10-12-21/h9-12,17-19,25H,3-8,13-16H2,1-2H3
InChIKeyVJURLYBKCXSDSY-UHFFFAOYSA-N
XLogP7.86
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.15
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
5-chloro-2-methyl-1-(2-(piperidin-1-yl)ethyl)-6-(4-(4-p-tolylthiazol-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 24762115
[1-(5,6-Dichloro-1-propyl-1H-benzoimidazol-2-yl)-ethyl]-(4-p-tolyl-thiazol-2-yl)-amine
CID 24789402
1-Propyl-2-[1-(4-p-tolyl-thiazol-2-yl)-pyrrolidin-2-yl]-1H-benzoimidazole
CID 24789405
[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
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
2,6-Dichloro-4-(2-{2-[5,6-dichloro-1-(4-methyl-benzyl)-1H-benzoimidazol-2-yl]-pyrrolidin-1-yl}-thiazol-4-yl)-phenylamine
CID 23724104

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole (CID 24789399) is 2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole is CCCn1c(C2CCCN2c2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21.
What is the InChIKey of 2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is VJURLYBKCXSDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN5S/c1-3-13-34-27-18-26(33-14-5-4-6-15-33)22(30)17-23(27)31-28(34)25-8-7-16-35(25)29-32-24(19-36-29)21-11-9-20(2)10-12-21/h9-12,17-19,25H,3-8,13-16H2,1-2H3.
What are the key properties of 2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole?
2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 520.15 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-6-piperidin-1-yl-1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 24789399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).