6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole

C15H21N3S — CID 55126511

IUPAC6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole
SMILESCc1ccc2nc(SCCC3CCCCN3)[nH]c2c1
InChIInChI=1S/C15H21N3S/c1-11-5-6-13-14(10-11)18-15(17-13)19-9-7-12-4-2-3-8-16-12/h5-6,10,12,16H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyLSPULOHWWSCIAW-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.50
Rot. Bonds4

About 6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole

6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole (PubChem CID 55126511) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole
PubChem CID55126511
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole
SMILESCc1ccc2nc(SCCC3CCCCN3)[nH]c2c1
InChIInChI=1S/C15H21N3S/c1-11-5-6-13-14(10-11)18-15(17-13)19-9-7-12-4-2-3-8-16-12/h5-6,10,12,16H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyLSPULOHWWSCIAW-UHFFFAOYSA-N
XLogP3.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571
N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine
CID 62876454
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-3H-benzimidazol-5-amine
CID 102820465
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716590
2-(2-azidoethylsulfanyl)-6-methyl-1H-benzimidazole
CID 62874259
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]azepan-2-one
CID 17461847
4-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]aniline
CID 63517780
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol
CID 65214051
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2087301

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole (CID 55126511) is 6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole is Cc1ccc2nc(SCCC3CCCCN3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole?
The InChIKey is LSPULOHWWSCIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-5-6-13-14(10-11)18-15(17-13)19-9-7-12-4-2-3-8-16-12/h5-6,10,12,16H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of 6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole?
6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole has a molecular weight of 275.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 55126511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).