4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one

C16H17N3O — CID 10423103

IUPAC4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one
SMILESCCC1=C(c2ccc(-n3ccnc3C)cc2)CNC1=O
InChIInChI=1S/C16H17N3O/c1-3-14-15(10-18-16(14)20)12-4-6-13(7-5-12)19-9-8-17-11(19)2/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKeyFCEHOOMDWGUBQF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.47
Rot. Bonds3

About 4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one

4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one (PubChem CID 10423103) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one
PubChem CID10423103
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one
SMILESCCC1=C(c2ccc(-n3ccnc3C)cc2)CNC1=O
InChIInChI=1S/C16H17N3O/c1-3-14-15(10-18-16(14)20)12-4-6-13(7-5-12)19-9-8-17-11(19)2/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKeyFCEHOOMDWGUBQF-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one (CID 10423103) is 4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one is CCC1=C(c2ccc(-n3ccnc3C)cc2)CNC1=O.
What is the InChIKey of 4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one?
The InChIKey is FCEHOOMDWGUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-14-15(10-18-16(14)20)12-4-6-13(7-5-12)19-9-8-17-11(19)2/h4-9H,3,10H2,1-2H3,(H,18,20).
What are the key properties of 4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one?
4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one has a molecular weight of 267.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 10423103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).