N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide

C27H23N5O4 — CID 41251194

IUPACN-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)C1=O
InChIInChI=1S/C27H23N5O4/c1-27(17-16-18-10-4-2-5-11-18)25(35)32(26(36)28-27)30-23(33)22-20-14-8-9-15-21(20)24(34)31(29-22)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,28,36)(H,30,33)/t27-/m1/s1
InChIKeyVGDOZTYEUKYCIW-HHHXNRCGSA-N
MW481.51 g/mol
LogP2.97
Rot. Bonds6

About N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 41251194) has the molecular formula C27H23N5O4 and a molecular weight of 481.51 g/mol. Its IUPAC name is N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID41251194
Molecular FormulaC27H23N5O4
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC NameN-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)C1=O
InChIInChI=1S/C27H23N5O4/c1-27(17-16-18-10-4-2-5-11-18)25(35)32(26(36)28-27)30-23(33)22-20-14-8-9-15-21(20)24(34)31(29-22)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,28,36)(H,30,33)/t27-/m1/s1
InChIKeyVGDOZTYEUKYCIW-HHHXNRCGSA-N
XLogP2.97
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 52.97
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-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 40897872
5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide
CID 42920191
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indazole-3-carboxamide
CID 31438081
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 40953027
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide
CID 42920177
5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide
CID 60521215
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 31438215
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 31435973
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135623477

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 41251194) is N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide is C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)C1=O.
What is the InChIKey of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is VGDOZTYEUKYCIW-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H23N5O4/c1-27(17-16-18-10-4-2-5-11-18)25(35)32(26(36)28-27)30-23(33)22-20-14-8-9-15-21(20)24(34)31(29-22)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,28,36)(H,30,33)/t27-/m1/s1.
What are the key properties of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 481.51 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 41251194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).