N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

C20H28N4S — CID 3223963

IUPACN-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
SMILESCc1ccc2nc(C3CCCN(C(=S)NC4CCCCC4)C3)[nH]c2c1
InChIInChI=1S/C20H28N4S/c1-14-9-10-17-18(12-14)23-19(22-17)15-6-5-11-24(13-15)20(25)21-16-7-3-2-4-8-16/h9-10,12,15-16H,2-8,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyLFERGQXFGRRFBG-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.26
Rot. Bonds2

About N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide (PubChem CID 3223963) has the molecular formula C20H28N4S and a molecular weight of 356.54 g/mol. Its IUPAC name is N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
PubChem CID3223963
Molecular FormulaC20H28N4S
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC NameN-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
SMILESCc1ccc2nc(C3CCCN(C(=S)NC4CCCCC4)C3)[nH]c2c1
InChIInChI=1S/C20H28N4S/c1-14-9-10-17-18(12-14)23-19(22-17)15-6-5-11-24(13-15)20(25)21-16-7-3-2-4-8-16/h9-10,12,15-16H,2-8,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyLFERGQXFGRRFBG-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-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 108781623
N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223968
methyl 2-[[3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate
CID 3223984
N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 3223990
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
3-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carbothioamide
CID 3223996
2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide
CID 167767525
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 99851245
2-[(3S)-1-(azepan-1-ylsulfonyl)piperidin-3-yl]-6-methyl-1H-benzimidazole
CID 97258168
2-methyl-1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 122137072

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide?
The IUPAC name of N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide (CID 3223963) is N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide is Cc1ccc2nc(C3CCCN(C(=S)NC4CCCCC4)C3)[nH]c2c1.
What is the InChIKey of N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide?
The InChIKey is LFERGQXFGRRFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4S/c1-14-9-10-17-18(12-14)23-19(22-17)15-6-5-11-24(13-15)20(25)21-16-7-3-2-4-8-16/h9-10,12,15-16H,2-8,11,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide?
N-cyclohexyl-3-(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-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide is sourced from PubChem (CID 3223963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).