2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one

C17H17BrN4O2 — CID 59772698

IUPAC2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one
SMILESCCC(=O)c1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)c[nH]1
InChIInChI=1S/C17H17BrN4O2/c1-3-14(23)13-8-11(9-20-13)17(10-5-4-6-12(18)7-10)15(24)22(2)16(19)21-17/h4-9,20H,3H2,1-2H3,(H2,19,21)
InChIKeyQZTLFSNMQGWBNC-UHFFFAOYSA-N
MW389.25 g/mol
LogP2.40
Rot. Bonds4

About 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one

2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one (PubChem CID 59772698) has the molecular formula C17H17BrN4O2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one
PubChem CID59772698
Molecular FormulaC17H17BrN4O2
Molecular Weight389.25 g/mol
Exact Mass388.05
IUPAC Name2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one
SMILESCCC(=O)c1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)c[nH]1
InChIInChI=1S/C17H17BrN4O2/c1-3-14(23)13-8-11(9-20-13)17(10-5-4-6-12(18)7-10)15(24)22(2)16(19)21-17/h4-9,20H,3H2,1-2H3,(H2,19,21)
InChIKeyQZTLFSNMQGWBNC-UHFFFAOYSA-N
XLogP2.40
TPSA91.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one?
The IUPAC name of 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one (CID 59772698) is 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one is CCC(=O)c1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)c[nH]1.
What is the InChIKey of 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one?
The InChIKey is QZTLFSNMQGWBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2/c1-3-14(23)13-8-11(9-20-13)17(10-5-4-6-12(18)7-10)15(24)22(2)16(19)21-17/h4-9,20H,3H2,1-2H3,(H2,19,21).
What are the key properties of 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one?
2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one has a molecular weight of 389.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one is sourced from PubChem (CID 59772698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).