5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide

C36H45N3O5S — CID 5013233

IUPAC5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide
SMILESCCCn1c(SCCCCC(=O)N(C)CCc2ccc(OC)c(OC)c2)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C36H45N3O5S/c1-7-22-39-35(28-14-18-30(42-4)19-15-28)34(27-12-16-29(41-3)17-13-27)37-36(39)45-24-9-8-10-33(40)38(2)23-21-26-11-20-31(43-5)32(25-26)44-6/h11-20,25H,7-10,21-24H2,1-6H3
InChIKeyDSAWRGWNWYMVPO-UHFFFAOYSA-N
MW631.84 g/mol
LogP7.62
Rot. Bonds17

About 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide

5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide (PubChem CID 5013233) has the molecular formula C36H45N3O5S and a molecular weight of 631.84 g/mol. Its IUPAC name is 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide
PubChem CID5013233
Molecular FormulaC36H45N3O5S
Molecular Weight631.84 g/mol
Exact Mass631.31
IUPAC Name5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide
SMILESCCCn1c(SCCCCC(=O)N(C)CCc2ccc(OC)c(OC)c2)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C36H45N3O5S/c1-7-22-39-35(28-14-18-30(42-4)19-15-28)34(27-12-16-29(41-3)17-13-27)37-36(39)45-24-9-8-10-33(40)38(2)23-21-26-11-20-31(43-5)32(25-26)44-6/h11-20,25H,7-10,21-24H2,1-6H3
InChIKeyDSAWRGWNWYMVPO-UHFFFAOYSA-N
XLogP7.62
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.84
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide
CID 3280619
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide
CID 4553350
4-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-1-piperidin-1-ylbutan-1-one
CID 3300627
N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-4-butylbenzamide
CID 4543196
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 42742294
5-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide
CID 42735297
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide
CID 3609386
1-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-(2,4-dimethoxyphenyl)urea
CID 42657911
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]-3,4-dichlorobenzamide
CID 3925766
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-methylacetamide
CID 7171407
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
1-(2,4-dimethoxyphenyl)-3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]urea
CID 3625791

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide?
The IUPAC name of 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide (CID 5013233) is 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide.
What is the SMILES notation for 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide?
The canonical SMILES for 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide is CCCn1c(SCCCCC(=O)N(C)CCc2ccc(OC)c(OC)c2)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.
What is the InChIKey of 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide?
The InChIKey is DSAWRGWNWYMVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N3O5S/c1-7-22-39-35(28-14-18-30(42-4)19-15-28)34(27-12-16-29(41-3)17-13-27)37-36(39)45-24-9-8-10-33(40)38(2)23-21-26-11-20-31(43-5)32(25-26)44-6/h11-20,25H,7-10,21-24H2,1-6H3.
What are the key properties of 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide?
5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide has a molecular weight of 631.84 g/mol, XLogP of 7.62, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide is sourced from PubChem (CID 5013233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).