5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide

C30H41N3O3S — CID 3280619

IUPAC5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide
SMILESCCCCCNC(=O)CCCCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1CCC
InChIInChI=1S/C30H41N3O3S/c1-5-7-9-20-31-27(34)11-8-10-22-37-30-32-28(23-12-16-25(35-3)17-13-23)29(33(30)21-6-2)24-14-18-26(36-4)19-15-24/h12-19H,5-11,20-22H2,1-4H3,(H,31,34)
InChIKeyONUOQFCNOVFZSN-UHFFFAOYSA-N
MW523.74 g/mol
LogP7.21
Rot. Bonds16

About 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide

5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide (PubChem CID 3280619) has the molecular formula C30H41N3O3S and a molecular weight of 523.74 g/mol. Its IUPAC name is 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide.

Molecular Properties

Compound Name5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide
PubChem CID3280619
Molecular FormulaC30H41N3O3S
Molecular Weight523.74 g/mol
Exact Mass523.29
IUPAC Name5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide
SMILESCCCCCNC(=O)CCCCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1CCC
InChIInChI=1S/C30H41N3O3S/c1-5-7-9-20-31-27(34)11-8-10-22-37-30-32-28(23-12-16-25(35-3)17-13-23)29(33(30)21-6-2)24-14-18-26(36-4)19-15-24/h12-19H,5-11,20-22H2,1-4H3,(H,31,34)
InChIKeyONUOQFCNOVFZSN-UHFFFAOYSA-N
XLogP7.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.74
LogP ≤ 57.21
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-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide
CID 4553350
N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide
CID 3984603
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]-3,4-dichlorobenzamide
CID 3925766
N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-4-butylbenzamide
CID 4543196
4-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-1-piperidin-1-ylbutan-1-one
CID 3300627
1-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-(4-bromophenyl)urea
CID 4001851
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-4-pentylbenzamide
CID 4534418
1-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-(2,4-dimethoxyphenyl)urea
CID 42657911
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
CID 3693436
N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dimethoxybenzamide
CID 4588239
1-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-(2-fluorophenyl)urea
CID 3375678
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 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide?
The IUPAC name of 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide (CID 3280619) is 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide.
What is the SMILES notation for 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide?
The canonical SMILES for 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide is CCCCCNC(=O)CCCCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1CCC.
What is the InChIKey of 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide?
The InChIKey is ONUOQFCNOVFZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O3S/c1-5-7-9-20-31-27(34)11-8-10-22-37-30-32-28(23-12-16-25(35-3)17-13-23)29(33(30)21-6-2)24-14-18-26(36-4)19-15-24/h12-19H,5-11,20-22H2,1-4H3,(H,31,34).
What are the key properties of 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide?
5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide has a molecular weight of 523.74 g/mol, XLogP of 7.21, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide is sourced from PubChem (CID 3280619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).