N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide

C25H24N4O3 — CID 86898588

IUPACN-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(c1ccccn1)N(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C25H24N4O3/c1-18(22-9-5-6-14-26-22)28(16-19-7-3-2-4-8-19)24(31)21-12-10-20(11-13-21)17-29-23(30)15-27-25(29)32/h2-14,18H,15-17H2,1H3,(H,27,32)
InChIKeyPORRPDRSDODPPU-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.54
Rot. Bonds7

About N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide

N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 86898588) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID86898588
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(c1ccccn1)N(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C25H24N4O3/c1-18(22-9-5-6-14-26-22)28(16-19-7-3-2-4-8-19)24(31)21-12-10-20(11-13-21)17-29-23(30)15-27-25(29)32/h2-14,18H,15-17H2,1H3,(H,27,32)
InChIKeyPORRPDRSDODPPU-UHFFFAOYSA-N
XLogP3.54
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 95324134
N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 30100120
N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 86897660
N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
CID 78851149
N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 86897663
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076
N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 95277339
N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide
CID 166334131
4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 136579493
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide
CID 78805985
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea
CID 56782733

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide (CID 86898588) is N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide is CC(c1ccccn1)N(Cc1ccccc1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is PORRPDRSDODPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-18(22-9-5-6-14-26-22)28(16-19-7-3-2-4-8-19)24(31)21-12-10-20(11-13-21)17-29-23(30)15-27-25(29)32/h2-14,18H,15-17H2,1H3,(H,27,32).
What are the key properties of N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide?
N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 428.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 86898588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).