cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

C11H18N2OS — CID 4642944

IUPACcyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)C1CCCCC1
InChIInChI=1S/C11H18N2OS/c1-15-11-12-7-8-13(11)10(14)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyMZTKRTLHFSHBOE-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.13
Rot. Bonds1

About cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 4642944) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID4642944
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Namecyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)C1CCCCC1
InChIInChI=1S/C11H18N2OS/c1-15-11-12-7-8-13(11)10(14)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyMZTKRTLHFSHBOE-UHFFFAOYSA-N
XLogP2.13
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone 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-[(2-chlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
CID 4109174
cyclohexyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4558615
cyclopentyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4577118
cyclohexyl-[2-(4-ethylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
CID 53037855
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-cyclopropylmethanone
CID 3541160
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
S-methyl cycloundecanecarbothioate
CID 123139355
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclopentyl-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 7451468
1-(cyclopentanecarbonyl)-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635059
cyclohexyl-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]methanone
CID 23460012

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 4642944) is cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is CSC1=NCCN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is MZTKRTLHFSHBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-15-11-12-7-8-13(11)10(14)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 226.34 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 4642944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).