4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide

C23H20N4O3 — CID 97187022

IUPAC4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
SMILESCc1ccccc1[C@@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)c1ccncc1
InChIInChI=1S/C23H20N4O3/c1-15-4-2-3-5-19(15)21(16-10-12-24-13-11-16)26-22(29)17-6-8-18(9-7-17)27-14-20(28)25-23(27)30/h2-13,21H,14H2,1H3,(H,26,29)(H,25,28,30)/t21-/m0/s1
InChIKeyQWTZPELLUASHMS-NRFANRHFSA-N
MW400.44 g/mol
LogP2.97
Rot. Bonds5

About 4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide

4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide (PubChem CID 97187022) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide.

Molecular Properties

Compound Name4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
PubChem CID97187022
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
SMILESCc1ccccc1[C@@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)c1ccncc1
InChIInChI=1S/C23H20N4O3/c1-15-4-2-3-5-19(15)21(16-10-12-24-13-11-16)26-22(29)17-6-8-18(9-7-17)27-14-20(28)25-23(27)30/h2-13,21H,14H2,1H3,(H,26,29)(H,25,28,30)/t21-/m0/s1
InChIKeyQWTZPELLUASHMS-NRFANRHFSA-N
XLogP2.97
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 16677411
N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 93487464
4-(2,4-dioxoimidazolidin-1-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzamide
CID 97203237
5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide
CID 16677418
5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51495923
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 132610512
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea
CID 126448565
N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 134044850
5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 50976747
4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide
CID 24639260
4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 46776702

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide?
The IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide (CID 97187022) is 4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide.
What is the SMILES notation for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide?
The canonical SMILES for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide is Cc1ccccc1[C@@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)c1ccncc1.
What is the InChIKey of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide?
The InChIKey is QWTZPELLUASHMS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15-4-2-3-5-19(15)21(16-10-12-24-13-11-16)26-22(29)17-6-8-18(9-7-17)27-14-20(28)25-23(27)30/h2-13,21H,14H2,1H3,(H,26,29)(H,25,28,30)/t21-/m0/s1.
What are the key properties of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide?
4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide has a molecular weight of 400.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]benzamide is sourced from PubChem (CID 97187022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).