1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one

C14H16N2OS — CID 80582050

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one
SMILESCCn1ccn(CC2Cc3ccccc3S2)c1=O
InChIInChI=1S/C14H16N2OS/c1-2-15-7-8-16(14(15)17)10-12-9-11-5-3-4-6-13(11)18-12/h3-8,12H,2,9-10H2,1H3
InChIKeyBLSOJDLKNGPIBH-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.39
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one (PubChem CID 80582050) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one
PubChem CID80582050
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one
SMILESCCn1ccn(CC2Cc3ccccc3S2)c1=O
InChIInChI=1S/C14H16N2OS/c1-2-15-7-8-16(14(15)17)10-12-9-11-5-3-4-6-13(11)18-12/h3-8,12H,2,9-10H2,1H3
InChIKeyBLSOJDLKNGPIBH-UHFFFAOYSA-N
XLogP2.39
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-ethylpyrimidine-2,4-dione
CID 79224100
5-(2,3-dihydro-1-benzothiophen-2-ylmethyl)thieno[3,2-c]pyridin-4-one
CID 116626857
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole
CID 116546719
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole
CID 79223895
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide
CID 81337357
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685698
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-one
CID 113440410

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one (CID 80582050) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one is CCn1ccn(CC2Cc3ccccc3S2)c1=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one?
The InChIKey is BLSOJDLKNGPIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-15-7-8-16(14(15)17)10-12-9-11-5-3-4-6-13(11)18-12/h3-8,12H,2,9-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one has a molecular weight of 260.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one is sourced from PubChem (CID 80582050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).