5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide

C28H29N3O3S — CID 69444235

IUPAC5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide
SMILESCOc1ccc(-c2nc(SCCC(CC(N)=O)c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H29N3O3S/c1-33-23-12-8-20(9-13-23)26-27(21-10-14-24(34-2)15-11-21)31-28(30-26)35-17-16-22(18-25(29)32)19-6-4-3-5-7-19/h3-15,22H,16-18H2,1-2H3,(H2,29,32)(H,30,31)
InChIKeyODDXWRAETKQBSW-UHFFFAOYSA-N
MW487.63 g/mol
LogP5.90
Rot. Bonds11

About 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide

5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide (PubChem CID 69444235) has the molecular formula C28H29N3O3S and a molecular weight of 487.63 g/mol. Its IUPAC name is 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide.

Molecular Properties

Compound Name5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide
PubChem CID69444235
Molecular FormulaC28H29N3O3S
Molecular Weight487.63 g/mol
Exact Mass487.19
IUPAC Name5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide
SMILESCOc1ccc(-c2nc(SCCC(CC(N)=O)c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H29N3O3S/c1-33-23-12-8-20(9-13-23)26-27(21-10-14-24(34-2)15-11-21)31-28(30-26)35-17-16-22(18-25(29)32)19-6-4-3-5-7-19/h3-15,22H,16-18H2,1-2H3,(H2,29,32)(H,30,31)
InChIKeyODDXWRAETKQBSW-UHFFFAOYSA-N
XLogP5.90
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.63
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide 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

N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenylacetamide
CID 21104898
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 2718104
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
CID 69440081
2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 57034417
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 23861401
1-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-sulfonamide
CID 69444385
2-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-3-(trifluoromethyl)benzamide
CID 69447208
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-methylbenzamide
CID 3273706
4-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23804200
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-fluorobenzamide
CID 5013327
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-iodophenyl)propanamide
CID 23889215
3-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23804202

Frequently Asked Questions

What is the IUPAC name of 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide?
The IUPAC name of 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide (CID 69444235) is 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide.
What is the SMILES notation for 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide?
The canonical SMILES for 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide is COc1ccc(-c2nc(SCCC(CC(N)=O)c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide?
The InChIKey is ODDXWRAETKQBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3S/c1-33-23-12-8-20(9-13-23)26-27(21-10-14-24(34-2)15-11-21)31-28(30-26)35-17-16-22(18-25(29)32)19-6-4-3-5-7-19/h3-15,22H,16-18H2,1-2H3,(H2,29,32)(H,30,31).
What are the key properties of 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide?
5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide has a molecular weight of 487.63 g/mol, XLogP of 5.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide is sourced from PubChem (CID 69444235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).