(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone

C17H24N2O4S — CID 3238906

IUPAC(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN=C2SC)cc(OCC)c1OCC
InChIInChI=1S/C17H24N2O4S/c1-5-21-13-10-12(11-14(22-6-2)15(13)23-7-3)16(20)19-9-8-18-17(19)24-4/h10-11H,5-9H2,1-4H3
InChIKeyWXCLTQBMTLWPAI-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.06
Rot. Bonds7

About (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone

(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone (PubChem CID 3238906) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone
PubChem CID3238906
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN=C2SC)cc(OCC)c1OCC
InChIInChI=1S/C17H24N2O4S/c1-5-21-13-10-12(11-14(22-6-2)15(13)23-7-3)16(20)19-9-8-18-17(19)24-4/h10-11H,5-9H2,1-4H3
InChIKeyWXCLTQBMTLWPAI-UHFFFAOYSA-N
XLogP3.06
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)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

Opiranserin
CID 71566778
Trocimine
CID 26650
4-(benzyloxy)-N-((1-(dimethylamino)cyclopentyl)methyl)-3,5-dimethoxybenzamide
CID 5311287
Piperazine, 1,4-bis(3,4,5-trimethoxybenzoyl)-
CID 120984
Benzamide, N-(2-(1-pyrrolidinyl)ethyl)-3,4,5-trimethoxy-, monohydrochloride
CID 2947321
1-(3-Phenylprop-2-enyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
CID 1048988
Tricetamide
CID 67763
(4-Pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1131674
(4-Methyl-1,4-diazepan-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 6467745
4-butoxy-3-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9101240
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide
CID 771169
4-Butyloxy-3,5-Dimethoxy-N-[(1-Dimethylaminocyclohexyl)Methyl]Benzamide
CID 5311286

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone (CID 3238906) is (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCN=C2SC)cc(OCC)c1OCC.
What is the InChIKey of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is WXCLTQBMTLWPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-5-21-13-10-12(11-14(22-6-2)15(13)23-7-3)16(20)19-9-8-18-17(19)24-4/h10-11H,5-9H2,1-4H3.
What are the key properties of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone?
(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 352.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 3238906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).