5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole

C28H35N3O2S — CID 159151335

IUPAC5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
SMILESCCCc1cn(CCOc2ccc(OC3CCCCCC3)cc2)c(-c2cc3sccc3n2C)n1
InChIInChI=1S/C28H35N3O2S/c1-3-8-21-20-31(28(29-21)26-19-27-25(30(26)2)15-18-34-27)16-17-32-22-11-13-24(14-12-22)33-23-9-6-4-5-7-10-23/h11-15,18-20,23H,3-10,16-17H2,1-2H3
InChIKeyKJIGWSRMQXGOGI-UHFFFAOYSA-N
MW477.67 g/mol
LogP7.24
Rot. Bonds9

About 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole

5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole (PubChem CID 159151335) has the molecular formula C28H35N3O2S and a molecular weight of 477.67 g/mol. Its IUPAC name is 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole.

Molecular Properties

Compound Name5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
PubChem CID159151335
Molecular FormulaC28H35N3O2S
Molecular Weight477.67 g/mol
Exact Mass477.24
IUPAC Name5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
SMILESCCCc1cn(CCOc2ccc(OC3CCCCCC3)cc2)c(-c2cc3sccc3n2C)n1
InChIInChI=1S/C28H35N3O2S/c1-3-8-21-20-31(28(29-21)26-19-27-25(30(26)2)15-18-34-27)16-17-32-22-11-13-24(14-12-22)33-23-9-6-4-5-7-10-23/h11-15,18-20,23H,3-10,16-17H2,1-2H3
InChIKeyKJIGWSRMQXGOGI-UHFFFAOYSA-N
XLogP7.24
TPSA41.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.67
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole 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

tert-butyl 4-[3-[3-[2-(4-methylthieno[3,2-b]pyrrol-5-yl)-4-propylimidazol-1-yl]propyl]phenoxy]piperidine-1-carboxylate
CID 138620420
5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 138654585
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
N-[3-[[4-(4-aminocyclohexyl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 118913651
1-cyclobutyloxy-4-propylbenzene
CID 178141621
(Z)-1-cyclohexa-1,5-dien-1-yl-2-(methylideneamino)-N-[(4-methylthieno[3,2-b]pyrrol-5-yl)methyl]-N-[2-(4-piperidin-4-yloxyphenoxy)ethyl]pent-1-en-1-amine
CID 155373909
3-(4-propoxyphenoxy)piperidine
CID 53409332
4-(4-propoxyphenoxy)azepane
CID 63904480
5-cyclopentyloxy-1-ethylindole
CID 57315298
5-cyclopentyloxy-2-ethylpyridine
CID 143839815
2-(4-cyclododecyloxyphenyl)-5-decylpyridine
CID 67763246
2-butyl-5-cyclohexyloxy-3-methylpyridine
CID 151977702

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole?
The IUPAC name of 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole (CID 159151335) is 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole.
What is the SMILES notation for 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole?
The canonical SMILES for 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole is CCCc1cn(CCOc2ccc(OC3CCCCCC3)cc2)c(-c2cc3sccc3n2C)n1.
What is the InChIKey of 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole?
The InChIKey is KJIGWSRMQXGOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2S/c1-3-8-21-20-31(28(29-21)26-19-27-25(30(26)2)15-18-34-27)16-17-32-22-11-13-24(14-12-22)33-23-9-6-4-5-7-10-23/h11-15,18-20,23H,3-10,16-17H2,1-2H3.
What are the key properties of 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole?
5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole has a molecular weight of 477.67 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-cycloheptyloxyphenoxy)ethyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole is sourced from PubChem (CID 159151335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).