5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole

C22H25N3OS — CID 138654585

IUPAC5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
SMILESCCc1cn(CCCc2ccc(OC)cc2)c(-c2cc3sccc3n2C)n1
InChIInChI=1S/C22H25N3OS/c1-4-17-15-25(12-5-6-16-7-9-18(26-3)10-8-16)22(23-17)20-14-21-19(24(20)2)11-13-27-21/h7-11,13-15H,4-6,12H2,1-3H3
InChIKeyYYHATMMFHPRXOA-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.31
Rot. Bonds7

About 5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole

5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole (PubChem CID 138654585) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole.

Molecular Properties

Compound Name5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
PubChem CID138654585
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
SMILESCCc1cn(CCCc2ccc(OC)cc2)c(-c2cc3sccc3n2C)n1
InChIInChI=1S/C22H25N3OS/c1-4-17-15-25(12-5-6-16-7-9-18(26-3)10-8-16)22(23-17)20-14-21-19(24(20)2)11-13-27-21/h7-11,13-15H,4-6,12H2,1-3H3
InChIKeyYYHATMMFHPRXOA-UHFFFAOYSA-N
XLogP5.31
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-Cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
CID 132138957
5-[1-[2-[4-(Azepan-4-yloxy)phenoxy]ethyl]-4-cyclobutylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138860
5-[4-Cyclobutyl-1-[3-[4-(piperidin-4-ylmethoxy)phenyl]propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138862
5-[1-[3-[4-(Azepan-4-yloxy)phenyl]propyl]-4-cyclobutylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138884
5-[1-[3-[4-(Azepan-4-yloxy)phenyl]propyl]-4-ethylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138904
5-[4-Ethyl-1-[3-[4-(pyrrolidin-3-ylmethoxy)phenyl]propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138946
5-[4-Ethyl-1-[3-[4-(piperidin-4-ylmethoxy)phenyl]propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138947
5-[1-[2-[4-(Azepan-4-yloxy)phenoxy]ethyl]-4-ethylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138949
5-[4-Cyclobutyl-1-[3-[4-(pyrrolidin-3-ylmethoxy)phenyl]propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138970
5-[1-[3-[4-(Azepan-4-yloxy)phenyl]propyl]-4-propylimidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138979
4-Methyl-5-[4-propyl-1-[3-[4-(pyrrolidin-3-ylmethoxy)phenyl]propyl]imidazol-2-yl]thieno[3,2-b]pyrrole
CID 132138980
5-[4-Ethyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138987

Frequently Asked Questions

What is the IUPAC name of 5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole?
The IUPAC name of 5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole (CID 138654585) is 5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole.
What is the SMILES notation for 5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole?
The canonical SMILES for 5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole is CCc1cn(CCCc2ccc(OC)cc2)c(-c2cc3sccc3n2C)n1.
What is the InChIKey of 5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole?
The InChIKey is YYHATMMFHPRXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-4-17-15-25(12-5-6-16-7-9-18(26-3)10-8-16)22(23-17)20-14-21-19(24(20)2)11-13-27-21/h7-11,13-15H,4-6,12H2,1-3H3.
What are the key properties of 5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole?
5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole has a molecular weight of 379.53 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-ethyl-1-[3-(4-methoxyphenyl)propyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole is sourced from PubChem (CID 138654585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).