N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide

C21H29N3OS — CID 55375083

IUPACN-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide
SMILESCc1nc(SCC(=O)N(C)Cc2ccccc2)n(C2CCCCC2)c1C
InChIInChI=1S/C21H29N3OS/c1-16-17(2)24(19-12-8-5-9-13-19)21(22-16)26-15-20(25)23(3)14-18-10-6-4-7-11-18/h4,6-7,10-11,19H,5,8-9,12-15H2,1-3H3
InChIKeyPHXQABOXXLFECQ-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.76
Rot. Bonds6

About N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide

N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide (PubChem CID 55375083) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide
PubChem CID55375083
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide
SMILESCc1nc(SCC(=O)N(C)Cc2ccccc2)n(C2CCCCC2)c1C
InChIInChI=1S/C21H29N3OS/c1-16-17(2)24(19-12-8-5-9-13-19)21(22-16)26-15-20(25)23(3)14-18-10-6-4-7-11-18/h4,6-7,10-11,19H,5,8-9,12-15H2,1-3H3
InChIKeyPHXQABOXXLFECQ-UHFFFAOYSA-N
XLogP4.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 60545973
1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole
CID 47111020
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 24598085
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 17495105
1-(1,3-benzodioxol-5-yl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylethanone
CID 17444026
4-[[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7492618
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 40657001
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134082483
methyl 4-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]benzoate
CID 7492126
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 31123532
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7665858

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide?
The IUPAC name of N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide (CID 55375083) is N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide is Cc1nc(SCC(=O)N(C)Cc2ccccc2)n(C2CCCCC2)c1C.
What is the InChIKey of N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide?
The InChIKey is PHXQABOXXLFECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-16-17(2)24(19-12-8-5-9-13-19)21(22-16)26-15-20(25)23(3)14-18-10-6-4-7-11-18/h4,6-7,10-11,19H,5,8-9,12-15H2,1-3H3.
What are the key properties of N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide?
N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide has a molecular weight of 371.55 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 55375083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).