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

C26H33N3O3S — CID 4553350

IUPACN-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide
SMILESCCCn1c(SCCCNC(=O)CC)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C26H33N3O3S/c1-5-17-29-25(20-10-14-22(32-4)15-11-20)24(19-8-12-21(31-3)13-9-19)28-26(29)33-18-7-16-27-23(30)6-2/h8-15H,5-7,16-18H2,1-4H3,(H,27,30)
InChIKeyAJPUIIWGONRMNB-UHFFFAOYSA-N
MW467.64 g/mol
LogP5.65
Rot. Bonds12

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

N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide (PubChem CID 4553350) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide.

Molecular Properties

Compound NameN-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide
PubChem CID4553350
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide
SMILESCCCn1c(SCCCNC(=O)CC)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C26H33N3O3S/c1-5-17-29-25(20-10-14-22(32-4)15-11-20)24(19-8-12-21(31-3)13-9-19)28-26(29)33-18-7-16-27-23(30)6-2/h8-15H,5-7,16-18H2,1-4H3,(H,27,30)
InChIKeyAJPUIIWGONRMNB-UHFFFAOYSA-N
XLogP5.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 55.65
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

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]-3,4-dichlorobenzamide
CID 3925766
N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide
CID 3984603
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
CID 4238393
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
1-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-(2,4-dimethoxyphenyl)urea
CID 42657911
1-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-(2-fluorophenyl)urea
CID 3375678
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
CID 5137693
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide
CID 4683494
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 N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide?
The IUPAC name of N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide (CID 4553350) is N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide.
What is the SMILES notation for N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide?
The canonical SMILES for N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide is CCCn1c(SCCCNC(=O)CC)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.
What is the InChIKey of N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide?
The InChIKey is AJPUIIWGONRMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-5-17-29-25(20-10-14-22(32-4)15-11-20)24(19-8-12-21(31-3)13-9-19)28-26(29)33-18-7-16-27-23(30)6-2/h8-15H,5-7,16-18H2,1-4H3,(H,27,30).
What are the key properties of N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide?
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide has a molecular weight of 467.64 g/mol, XLogP of 5.65, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide is sourced from PubChem (CID 4553350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).