1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide

C21H19BrN4O2 — CID 47088838

IUPAC1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCn1cnc(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C21H19BrN4O2/c1-25-13-23-19(14-6-3-2-4-7-14)20(25)24-21(28)15-10-18(27)26(12-15)17-9-5-8-16(22)11-17/h2-9,11,13,15H,10,12H2,1H3,(H,24,28)
InChIKeyRHCZLBMIMSTQMU-UHFFFAOYSA-N
MW439.31 g/mol
LogP3.84
Rot. Bonds4

About 1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 47088838) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID47088838
Molecular FormulaC21H19BrN4O2
Molecular Weight439.31 g/mol
Exact Mass438.07
IUPAC Name1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCn1cnc(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C21H19BrN4O2/c1-25-13-23-19(14-6-3-2-4-7-14)20(25)24-21(28)15-10-18(27)26(12-15)17-9-5-8-16(22)11-17/h2-9,11,13,15H,10,12H2,1H3,(H,24,28)
InChIKeyRHCZLBMIMSTQMU-UHFFFAOYSA-N
XLogP3.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
1-(3-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952988
1-(3-bromophenyl)-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 42953340
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 52636988
1-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952985
1-(3-bromophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42952846
1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90603521
1-(3-bromophenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190290
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 47088838) is 1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide is Cn1cnc(-c2ccccc2)c1NC(=O)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RHCZLBMIMSTQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c1-25-13-23-19(14-6-3-2-4-7-14)20(25)24-21(28)15-10-18(27)26(12-15)17-9-5-8-16(22)11-17/h2-9,11,13,15H,10,12H2,1H3,(H,24,28).
What are the key properties of 1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47088838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).