2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

C19H27N3OS — CID 31123532

IUPAC2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)c(C)[nH]1
InChIInChI=1S/C19H27N3OS/c1-12-10-17(14(3)20-12)18(23)11-24-19-21-13(2)15(4)22(19)16-8-6-5-7-9-16/h10,16,20H,5-9,11H2,1-4H3
InChIKeyVDXTUBZKYQQHCD-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.93
Rot. Bonds5

About 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (PubChem CID 31123532) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
PubChem CID31123532
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)c(C)[nH]1
InChIInChI=1S/C19H27N3OS/c1-12-10-17(14(3)20-12)18(23)11-24-19-21-13(2)15(4)22(19)16-8-6-5-7-9-16/h10,16,20H,5-9,11H2,1-4H3
InChIKeyVDXTUBZKYQQHCD-UHFFFAOYSA-N
XLogP4.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 24623023
1-cyclohexyl-4,5-dimethyl-2-(2-methylprop-2-enylsulfanyl)imidazole
CID 47111020
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanone
CID 24661572
1-(1,3-benzodioxol-5-yl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylethanone
CID 17444026
N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-methylacetamide
CID 55375083
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 60545973
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520218
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9291207
4-[[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7492618
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 17458015
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 40657001
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51190971

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CID 31123532) is 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is Cc1cc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)c(C)[nH]1.
What is the InChIKey of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is VDXTUBZKYQQHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-12-10-17(14(3)20-12)18(23)11-24-19-21-13(2)15(4)22(19)16-8-6-5-7-9-16/h10,16,20H,5-9,11H2,1-4H3.
What are the key properties of 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 345.51 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 31123532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).