1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide

C41H36N6O6 — CID 76815401

IUPAC1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(C(=O)N1CCCC1C(=O)Nc1ccc(-c2nc[nH]c2-c2ccc(NC(=O)C3CCCN3C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C41H36N6O6/c48-36(28-9-3-1-4-10-28)40(52)46-23-7-13-32(46)38(50)44-30-19-15-26(16-20-30)34-35(43-25-42-34)27-17-21-31(22-18-27)45-39(51)33-14-8-24-47(33)41(53)37(49)29-11-5-2-6-12-29/h1-6,9-12,15-22,25,32-33H,7-8,13-14,23-24H2,(H,42,43)(H,44,50)(H,45,51)
InChIKeyAJYUZTCOQFIEHB-UHFFFAOYSA-N
MW708.78 g/mol
LogP5.37
Rot. Bonds10

About 1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide

1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 76815401) has the molecular formula C41H36N6O6 and a molecular weight of 708.78 g/mol. Its IUPAC name is 1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide
PubChem CID76815401
Molecular FormulaC41H36N6O6
Molecular Weight708.78 g/mol
Exact Mass708.27
IUPAC Name1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(C(=O)N1CCCC1C(=O)Nc1ccc(-c2nc[nH]c2-c2ccc(NC(=O)C3CCCN3C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C41H36N6O6/c48-36(28-9-3-1-4-10-28)40(52)46-23-7-13-32(46)38(50)44-30-19-15-26(16-20-30)34-35(43-25-42-34)27-17-21-31(22-18-27)45-39(51)33-14-8-24-47(33)41(53)37(49)29-11-5-2-6-12-29/h1-6,9-12,15-22,25,32-33H,7-8,13-14,23-24H2,(H,42,43)(H,44,50)(H,45,51)
InChIKeyAJYUZTCOQFIEHB-UHFFFAOYSA-N
XLogP5.37
TPSA161.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.78
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2S)-2-hydroxy-2-phenylacetyl]-N-[4-[4-[4-[[1-[(2S)-2-hydroxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 123866116
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
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(2S)-1-(3-chloro-5-methoxyisoquinoline-1-carbonyl)-N-[4-[5-[4-[[(2S)-1-[3-(iodomethyl)-5-methoxyisoquinoline-1-carbonyl]pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-4-yl]phenyl]pyrrolidine-2-carboxamide
CID 89397571
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
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1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 140698374
1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide (CID 76815401) is 1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide is O=C(C(=O)N1CCCC1C(=O)Nc1ccc(-c2nc[nH]c2-c2ccc(NC(=O)C3CCCN3C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is AJYUZTCOQFIEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N6O6/c48-36(28-9-3-1-4-10-28)40(52)46-23-7-13-32(46)38(50)44-30-19-15-26(16-20-30)34-35(43-25-42-34)27-17-21-31(22-18-27)45-39(51)33-14-8-24-47(33)41(53)37(49)29-11-5-2-6-12-29/h1-6,9-12,15-22,25,32-33H,7-8,13-14,23-24H2,(H,42,43)(H,44,50)(H,45,51).
What are the key properties of 1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide?
1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 708.78 g/mol, XLogP of 5.37, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-phenylacetyl)-N-[4-[4-[4-[[1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-imidazol-5-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 76815401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).