3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide

C26H31N3OS — CID 5037121

IUPAC3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide
SMILESCn1c(SCCNC(=O)CCC2CCCC2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H31N3OS/c1-29-25(22-14-6-3-7-15-22)24(21-12-4-2-5-13-21)28-26(29)31-19-18-27-23(30)17-16-20-10-8-9-11-20/h2-7,12-15,20H,8-11,16-19H2,1H3,(H,27,30)
InChIKeyUCLXCMOZUYOQJF-UHFFFAOYSA-N
MW433.62 g/mol
LogP5.93
Rot. Bonds9

About 3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide

3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide (PubChem CID 5037121) has the molecular formula C26H31N3OS and a molecular weight of 433.62 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide
PubChem CID5037121
Molecular FormulaC26H31N3OS
Molecular Weight433.62 g/mol
Exact Mass433.22
IUPAC Name3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide
SMILESCn1c(SCCNC(=O)CCC2CCCC2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H31N3OS/c1-29-25(22-14-6-3-7-15-22)24(21-12-4-2-5-13-21)28-26(29)31-19-18-27-23(30)17-16-20-10-8-9-11-20/h2-7,12-15,20H,8-11,16-19H2,1H3,(H,27,30)
InChIKeyUCLXCMOZUYOQJF-UHFFFAOYSA-N
XLogP5.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide
CID 3984603
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide
CID 4255231
N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dinitrobenzamide
CID 45488540
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide
CID 4598750
3-chloro-N-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-2,2-dimethylpropanamide
CID 3556679
3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide
CID 121079010
3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide
CID 56807333
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
CID 4238393
2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide
CID 3378636
3-cyclohexyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 31618840
1-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 4236781

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide (CID 5037121) is 3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide is Cn1c(SCCNC(=O)CCC2CCCC2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide?
The InChIKey is UCLXCMOZUYOQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3OS/c1-29-25(22-14-6-3-7-15-22)24(21-12-4-2-5-13-21)28-26(29)31-19-18-27-23(30)17-16-20-10-8-9-11-20/h2-7,12-15,20H,8-11,16-19H2,1H3,(H,27,30).
What are the key properties of 3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide?
3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide has a molecular weight of 433.62 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide is sourced from PubChem (CID 5037121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).