1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one

C13H18N2OS — CID 116624713

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2ccc(CC)s2)c1=O
InChIInChI=1S/C13H18N2OS/c1-3-7-14-8-9-15(13(14)16)10-12-6-5-11(4-2)17-12/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyVYILBNDHNGBXOU-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.73
Rot. Bonds5

About 1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one

1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one (PubChem CID 116624713) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one
PubChem CID116624713
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2ccc(CC)s2)c1=O
InChIInChI=1S/C13H18N2OS/c1-3-7-14-8-9-15(13(14)16)10-12-6-5-11(4-2)17-12/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyVYILBNDHNGBXOU-UHFFFAOYSA-N
XLogP2.73
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one (CID 116624713) is 1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2ccc(CC)s2)c1=O.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one?
The InChIKey is VYILBNDHNGBXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-7-14-8-9-15(13(14)16)10-12-6-5-11(4-2)17-12/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one?
1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one has a molecular weight of 250.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 116624713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).