N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide

C30H39N3O3S — CID 3984603

IUPACN-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide
SMILESCCCn1c(SCCNC(=O)CCC2CCCC2)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C30H39N3O3S/c1-4-20-33-29(24-12-16-26(36-3)17-13-24)28(23-10-14-25(35-2)15-11-23)32-30(33)37-21-19-31-27(34)18-9-22-7-5-6-8-22/h10-17,22H,4-9,18-21H2,1-3H3,(H,31,34)
InChIKeyZHLJYRQSWYGKAN-UHFFFAOYSA-N
MW521.73 g/mol
LogP6.82
Rot. Bonds13

About N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide

N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide (PubChem CID 3984603) has the molecular formula C30H39N3O3S and a molecular weight of 521.73 g/mol. Its IUPAC name is N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide
PubChem CID3984603
Molecular FormulaC30H39N3O3S
Molecular Weight521.73 g/mol
Exact Mass521.27
IUPAC NameN-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide
SMILESCCCn1c(SCCNC(=O)CCC2CCCC2)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C30H39N3O3S/c1-4-20-33-29(24-12-16-26(36-3)17-13-24)28(23-10-14-25(35-2)15-11-23)32-30(33)37-21-19-31-27(34)18-9-22-7-5-6-8-22/h10-17,22H,4-9,18-21H2,1-3H3,(H,31,34)
InChIKeyZHLJYRQSWYGKAN-UHFFFAOYSA-N
XLogP6.82
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.73
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide 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

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
3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide
CID 5037121
1-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-(2,4-dimethoxyphenyl)urea
CID 42657911
N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-4-butylbenzamide
CID 4543196
1-(2,4-dimethoxyphenyl)-3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]urea
CID 3625791
1-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-(2-fluorophenyl)urea
CID 3375678
4-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-1-piperidin-1-ylbutan-1-one
CID 3300627
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]-3,4-dichlorobenzamide
CID 3925766
ethyl 2-[2-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylethylcarbamoylamino]acetate
CID 3921935
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide
CID 4598750
5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide
CID 5013233

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide (CID 3984603) is N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide is CCCn1c(SCCNC(=O)CCC2CCCC2)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.
What is the InChIKey of N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide?
The InChIKey is ZHLJYRQSWYGKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O3S/c1-4-20-33-29(24-12-16-26(36-3)17-13-24)28(23-10-14-25(35-2)15-11-23)32-30(33)37-21-19-31-27(34)18-9-22-7-5-6-8-22/h10-17,22H,4-9,18-21H2,1-3H3,(H,31,34).
What are the key properties of N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide?
N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide has a molecular weight of 521.73 g/mol, XLogP of 6.82, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 3984603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).