3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole

C21H22N4S — CID 46225583

IUPAC3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole
SMILESCn1c(CN2CCC(c3nsc4ccccc34)CC2)nc2ccccc21
InChIInChI=1S/C21H22N4S/c1-24-18-8-4-3-7-17(18)22-20(24)14-25-12-10-15(11-13-25)21-16-6-2-5-9-19(16)26-23-21/h2-9,15H,10-14H2,1H3
InChIKeyHYGJPVUOYCSNGB-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.56
Rot. Bonds3

About 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole

3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole (PubChem CID 46225583) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole.

Molecular Properties

Compound Name3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole
PubChem CID46225583
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC Name3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole
SMILESCn1c(CN2CCC(c3nsc4ccccc34)CC2)nc2ccccc21
InChIInChI=1S/C21H22N4S/c1-24-18-8-4-3-7-17(18)22-20(24)14-25-12-10-15(11-13-25)21-16-6-2-5-9-19(16)26-23-21/h2-9,15H,10-14H2,1H3
InChIKeyHYGJPVUOYCSNGB-UHFFFAOYSA-N
XLogP4.56
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzothiazole
CID 70353407
1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
CID 24815438
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166632835
1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 95845112
4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 125113468
1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 124814493
(2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine
CID 24815515
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
CID 124941136
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole?
The IUPAC name of 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole (CID 46225583) is 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole.
What is the SMILES notation for 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole?
The canonical SMILES for 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole is Cn1c(CN2CCC(c3nsc4ccccc34)CC2)nc2ccccc21.
What is the InChIKey of 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole?
The InChIKey is HYGJPVUOYCSNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-24-18-8-4-3-7-17(18)22-20(24)14-25-12-10-15(11-13-25)21-16-6-2-5-9-19(16)26-23-21/h2-9,15H,10-14H2,1H3.
What are the key properties of 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole?
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole has a molecular weight of 362.50 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole is sourced from PubChem (CID 46225583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).