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

C21H22N4S — CID 46225582

IUPAC2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
SMILESCn1c(CN2CCC(c3nc4ccccc4s3)CC2)nc2ccccc21
InChIInChI=1S/C21H22N4S/c1-24-18-8-4-2-6-16(18)22-20(24)14-25-12-10-15(11-13-25)21-23-17-7-3-5-9-19(17)26-21/h2-9,15H,10-14H2,1H3
InChIKeyZDOBRSDAKYWSHM-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.56
Rot. Bonds3

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

2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole (PubChem CID 46225582) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
PubChem CID46225582
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC Name2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole
SMILESCn1c(CN2CCC(c3nc4ccccc4s3)CC2)nc2ccccc21
InChIInChI=1S/C21H22N4S/c1-24-18-8-4-2-6-16(18)22-20(24)14-25-12-10-15(11-13-25)21-23-17-7-3-5-9-19(17)26-21/h2-9,15H,10-14H2,1H3
InChIKeyZDOBRSDAKYWSHM-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole (CID 46225582) is 2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole is Cn1c(CN2CCC(c3nc4ccccc4s3)CC2)nc2ccccc21.
What is the InChIKey of 2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The InChIKey is ZDOBRSDAKYWSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-24-18-8-4-2-6-16(18)22-20(24)14-25-12-10-15(11-13-25)21-23-17-7-3-5-9-19(17)26-21/h2-9,15H,10-14H2,1H3.
What are the key properties of 2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole?
2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-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 2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 46225582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).