6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole

C20H19ClN4S — CID 108774137

IUPAC6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
SMILESCc1ccc2nc(C3CCN(c4nc5ccc(Cl)cc5s4)CC3)[nH]c2c1
InChIInChI=1S/C20H19ClN4S/c1-12-2-4-15-17(10-12)23-19(22-15)13-6-8-25(9-7-13)20-24-16-5-3-14(21)11-18(16)26-20/h2-5,10-11,13H,6-9H2,1H3,(H,22,23)
InChIKeyREOGZKMQXMQYRD-UHFFFAOYSA-N
MW382.92 g/mol
LogP5.52
Rot. Bonds2

About 6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole

6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole (PubChem CID 108774137) has the molecular formula C20H19ClN4S and a molecular weight of 382.92 g/mol. Its IUPAC name is 6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
PubChem CID108774137
Molecular FormulaC20H19ClN4S
Molecular Weight382.92 g/mol
Exact Mass382.10
IUPAC Name6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
SMILESCc1ccc2nc(C3CCN(c4nc5ccc(Cl)cc5s4)CC3)[nH]c2c1
InChIInChI=1S/C20H19ClN4S/c1-12-2-4-15-17(10-12)23-19(22-15)13-6-8-25(9-7-13)20-24-16-5-3-14(21)11-18(16)26-20/h2-5,10-11,13H,6-9H2,1H3,(H,22,23)
InChIKeyREOGZKMQXMQYRD-UHFFFAOYSA-N
XLogP5.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.92
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 108774133
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
CID 131730289
5-chloro-4-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941639
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-7H-purine
CID 108774131

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole (CID 108774137) is 6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole is Cc1ccc2nc(C3CCN(c4nc5ccc(Cl)cc5s4)CC3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is REOGZKMQXMQYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4S/c1-12-2-4-15-17(10-12)23-19(22-15)13-6-8-25(9-7-13)20-24-16-5-3-14(21)11-18(16)26-20/h2-5,10-11,13H,6-9H2,1H3,(H,22,23).
What are the key properties of 6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole?
6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 382.92 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 108774137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).