N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide

C30H33N3O3S — CID 3892183

IUPACN-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide
SMILESCCn1c(SCCCCNC(=O)c2cc(OC)cc(OC)c2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H33N3O3S/c1-4-33-28(23-15-9-6-10-16-23)27(22-13-7-5-8-14-22)32-30(33)37-18-12-11-17-31-29(34)24-19-25(35-2)21-26(20-24)36-3/h5-10,13-16,19-21H,4,11-12,17-18H2,1-3H3,(H,31,34)
InChIKeyQORIDPKGSHWBBO-UHFFFAOYSA-N
MW515.68 g/mol
LogP6.56
Rot. Bonds12

About N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide

N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide (PubChem CID 3892183) has the molecular formula C30H33N3O3S and a molecular weight of 515.68 g/mol. Its IUPAC name is N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide
PubChem CID3892183
Molecular FormulaC30H33N3O3S
Molecular Weight515.68 g/mol
Exact Mass515.22
IUPAC NameN-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide
SMILESCCn1c(SCCCCNC(=O)c2cc(OC)cc(OC)c2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H33N3O3S/c1-4-33-28(23-15-9-6-10-16-23)27(22-13-7-5-8-14-22)32-30(33)37-18-12-11-17-31-29(34)24-19-25(35-2)21-26(20-24)36-3/h5-10,13-16,19-21H,4,11-12,17-18H2,1-3H3,(H,31,34)
InChIKeyQORIDPKGSHWBBO-UHFFFAOYSA-N
XLogP6.56
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 56.56
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-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dimethoxybenzamide
CID 4588239
4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide
CID 42725819
3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide
CID 5034353
2-chloro-N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]benzamide
CID 5114065
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-4-pentylbenzamide
CID 4534418
4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutanoic acid
CID 42725662
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]-3,4-dichlorobenzamide
CID 3925766
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
CID 5137693
N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dinitrobenzamide
CID 45488540
N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide
CID 4566754
1-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 5137200
5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide
CID 3280619

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide (CID 3892183) is N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide is CCn1c(SCCCCNC(=O)c2cc(OC)cc(OC)c2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide?
The InChIKey is QORIDPKGSHWBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3S/c1-4-33-28(23-15-9-6-10-16-23)27(22-13-7-5-8-14-22)32-30(33)37-18-12-11-17-31-29(34)24-19-25(35-2)21-26(20-24)36-3/h5-10,13-16,19-21H,4,11-12,17-18H2,1-3H3,(H,31,34).
What are the key properties of N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide?
N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide has a molecular weight of 515.68 g/mol, XLogP of 6.56, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 3892183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).