1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone

C15H18N2OS — CID 115784807

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C15H18N2OS/c1-2-7-17-8-6-16-15(17)10-12(18)14-9-11-4-3-5-13(11)19-14/h6,8-9H,2-5,7,10H2,1H3
InChIKeyCXPWMQFNJSVNAV-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.27
Rot. Bonds5

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 115784807) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID115784807
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C15H18N2OS/c1-2-7-17-8-6-16-15(17)10-12(18)14-9-11-4-3-5-13(11)19-14/h6,8-9H,2-5,7,10H2,1H3
InChIKeyCXPWMQFNJSVNAV-UHFFFAOYSA-N
XLogP3.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784791
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784450
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 115799492
2-ethoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 115782877
2-(1-propylimidazol-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609325
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979759
2-ethoxy-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 115783007
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779726
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 114963218
2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 79744288
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone (CID 115784807) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is CXPWMQFNJSVNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-7-17-8-6-16-15(17)10-12(18)14-9-11-4-3-5-13(11)19-14/h6,8-9H,2-5,7,10H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 274.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).