2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one

C19H22N4O3 — CID 59772735

IUPAC2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one
SMILESCCC(=O)c1cc(C2(c3cccc(O)c3)N=C(N)N(C)C2=O)cn1CC
InChIInChI=1S/C19H22N4O3/c1-4-16(25)15-10-13(11-23(15)5-2)19(12-7-6-8-14(24)9-12)17(26)22(3)18(20)21-19/h6-11,24H,4-5H2,1-3H3,(H2,20,21)
InChIKeyVNWOATAMAYHMGC-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.84
Rot. Bonds5

About 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one

2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one (PubChem CID 59772735) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one
PubChem CID59772735
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one
SMILESCCC(=O)c1cc(C2(c3cccc(O)c3)N=C(N)N(C)C2=O)cn1CC
InChIInChI=1S/C19H22N4O3/c1-4-16(25)15-10-13(11-23(15)5-2)19(12-7-6-8-14(24)9-12)17(26)22(3)18(20)21-19/h6-11,24H,4-5H2,1-3H3,(H2,20,21)
InChIKeyVNWOATAMAYHMGC-UHFFFAOYSA-N
XLogP1.84
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one (CID 59772735) is 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one is CCC(=O)c1cc(C2(c3cccc(O)c3)N=C(N)N(C)C2=O)cn1CC.
What is the InChIKey of 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one?
The InChIKey is VNWOATAMAYHMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-16(25)15-10-13(11-23(15)5-2)19(12-7-6-8-14(24)9-12)17(26)22(3)18(20)21-19/h6-11,24H,4-5H2,1-3H3,(H2,20,21).
What are the key properties of 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one?
2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one has a molecular weight of 354.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-ethyl-5-propanoylpyrrol-3-yl)-5-(3-hydroxyphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 59772735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).