methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate

C19H18N2O3S — CID 46517108

IUPACmethyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate
SMILESCOC(=O)c1ccc(CSc2nccn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-23-17-9-7-16(8-10-17)21-12-11-20-19(21)25-13-14-3-5-15(6-4-14)18(22)24-2/h3-12H,13H2,1-2H3
InChIKeyKYYOKSMCMOELON-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.96
Rot. Bonds6

About methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate

methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate (PubChem CID 46517108) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate
PubChem CID46517108
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Namemethyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate
SMILESCOC(=O)c1ccc(CSc2nccn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-23-17-9-7-16(8-10-17)21-12-11-20-19(21)25-13-14-3-5-15(6-4-14)18(22)24-2/h3-12H,13H2,1-2H3
InChIKeyKYYOKSMCMOELON-UHFFFAOYSA-N
XLogP3.96
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate 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

4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 9020841
5-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpentan-2-one
CID 134005509
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 18163998
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
methyl 4-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate
CID 20887072
5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 31057163
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 33299887
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
methyl 4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
CID 60645575
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate?
The IUPAC name of methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate (CID 46517108) is methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate.
What is the SMILES notation for methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate?
The canonical SMILES for methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate is COC(=O)c1ccc(CSc2nccn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate?
The InChIKey is KYYOKSMCMOELON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-17-9-7-16(8-10-17)21-12-11-20-19(21)25-13-14-3-5-15(6-4-14)18(22)24-2/h3-12H,13H2,1-2H3.
What are the key properties of methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate?
methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate has a molecular weight of 354.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate is sourced from PubChem (CID 46517108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).