N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C23H25N5O4 — CID 55450886

IUPACN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C23H25N5O4/c1-3-14-26-17-11-7-8-12-18(17)27(22(26)32)15-13-19(29)25-28-20(30)23(2,24-21(28)31)16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,24,31)(H,25,29)
InChIKeyCHCKBLJTTRIWIA-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.10
Rot. Bonds7

About N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 55450886) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID55450886
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)c2ccccc21
InChIInChI=1S/C23H25N5O4/c1-3-14-26-17-11-7-8-12-18(17)27(22(26)32)15-13-19(29)25-28-20(30)23(2,24-21(28)31)16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,24,31)(H,25,29)
InChIKeyCHCKBLJTTRIWIA-UHFFFAOYSA-N
XLogP2.10
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24545847
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N',N'-dipropylpentanediamide
CID 56546213
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
4-(2-ethoxyphenoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]butanamide
CID 8879377
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55343004
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8694880
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
2-(4-fluorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439522
3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 55436066

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 55450886) is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)c2ccccc21.
What is the InChIKey of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is CHCKBLJTTRIWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-3-14-26-17-11-7-8-12-18(17)27(22(26)32)15-13-19(29)25-28-20(30)23(2,24-21(28)31)16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,24,31)(H,25,29).
What are the key properties of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 435.48 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 55450886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).