N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

C20H28N4S — CID 108781623

IUPACN-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
SMILESCc1ccc2nc(C3CCN(C(=S)NC4CCCCC4)CC3)[nH]c2c1
InChIInChI=1S/C20H28N4S/c1-14-7-8-17-18(13-14)23-19(22-17)15-9-11-24(12-10-15)20(25)21-16-5-3-2-4-6-16/h7-8,13,15-16H,2-6,9-12H2,1H3,(H,21,25)(H,22,23)
InChIKeyAROOGESLYYIECV-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.26
Rot. Bonds2

About N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide (PubChem CID 108781623) has the molecular formula C20H28N4S and a molecular weight of 356.54 g/mol. Its IUPAC name is N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
PubChem CID108781623
Molecular FormulaC20H28N4S
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC NameN-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
SMILESCc1ccc2nc(C3CCN(C(=S)NC4CCCCC4)CC3)[nH]c2c1
InChIInChI=1S/C20H28N4S/c1-14-7-8-17-18(13-14)23-19(22-17)15-9-11-24(12-10-15)20(25)21-16-5-3-2-4-6-16/h7-8,13,15-16H,2-6,9-12H2,1H3,(H,21,25)(H,22,23)
InChIKeyAROOGESLYYIECV-UHFFFAOYSA-N
XLogP4.26
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223963
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(2,5-dimethylphenyl)piperidine-1-carbothioamide
CID 1430280
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(2,4-dimethylphenyl)piperidine-1-carbothioamide
CID 1430289
N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223968
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpiperidine-1-carbothioamide
CID 1429964
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624
formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 154909579
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide?
The IUPAC name of N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide (CID 108781623) is N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide is Cc1ccc2nc(C3CCN(C(=S)NC4CCCCC4)CC3)[nH]c2c1.
What is the InChIKey of N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide?
The InChIKey is AROOGESLYYIECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4S/c1-14-7-8-17-18(13-14)23-19(22-17)15-9-11-24(12-10-15)20(25)21-16-5-3-2-4-6-16/h7-8,13,15-16H,2-6,9-12H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide?
N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide has a molecular weight of 356.54 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide is sourced from PubChem (CID 108781623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).