3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide

C27H27N3O3S — CID 5034353

IUPAC3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCSc2nc(-c3ccccc3)c(-c3ccccc3)n2C)c1
InChIInChI=1S/C27H27N3O3S/c1-30-25(20-12-8-5-9-13-20)24(19-10-6-4-7-11-19)29-27(30)34-15-14-28-26(31)21-16-22(32-2)18-23(17-21)33-3/h4-13,16-18H,14-15H2,1-3H3,(H,28,31)
InChIKeyWWKCFOWJVUYIHE-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.29
Rot. Bonds9

About 3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide

3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide (PubChem CID 5034353) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide
PubChem CID5034353
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCSc2nc(-c3ccccc3)c(-c3ccccc3)n2C)c1
InChIInChI=1S/C27H27N3O3S/c1-30-25(20-12-8-5-9-13-20)24(19-10-6-4-7-11-19)29-27(30)34-15-14-28-26(31)21-16-22(32-2)18-23(17-21)33-3/h4-13,16-18H,14-15H2,1-3H3,(H,28,31)
InChIKeyWWKCFOWJVUYIHE-UHFFFAOYSA-N
XLogP5.29
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylethyl]-3,4-dichlorobenzamide
CID 3900289
N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide
CID 3892183
N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dinitrobenzamide
CID 45488540
N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dimethoxybenzamide
CID 4588239
3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide
CID 5037121
1-(2,4-dimethoxyphenyl)-3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]urea
CID 3625791
N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-4-butylbenzamide
CID 4543196
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]-3,4-dichlorobenzamide
CID 3925766
1-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-(2-fluorophenyl)urea
CID 3375678
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
CID 5137693
2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 3913121
4-tert-butyl-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide
CID 42657918

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide (CID 5034353) is 3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide is COc1cc(OC)cc(C(=O)NCCSc2nc(-c3ccccc3)c(-c3ccccc3)n2C)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide?
The InChIKey is WWKCFOWJVUYIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-30-25(20-12-8-5-9-13-20)24(19-10-6-4-7-11-19)29-27(30)34-15-14-28-26(31)21-16-22(32-2)18-23(17-21)33-3/h4-13,16-18H,14-15H2,1-3H3,(H,28,31).
What are the key properties of 3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide?
3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide has a molecular weight of 473.60 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide is sourced from PubChem (CID 5034353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).