N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C28H25N5O4 — CID 40953027

IUPACN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C28H25N5O4/c1-18-29-23-11-7-6-10-22(23)25(35)32(18)21-14-12-20(13-15-21)24(34)31-33-26(36)28(2,30-27(33)37)17-16-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,30,37)(H,31,34)/t28-/m0/s1
InChIKeyHGFWFGZBKMQZGN-NDEPHWFRSA-N
MW495.54 g/mol
LogP3.28
Rot. Bonds6

About N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 40953027) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID40953027
Molecular FormulaC28H25N5O4
Molecular Weight495.54 g/mol
Exact Mass495.19
IUPAC NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C28H25N5O4/c1-18-29-23-11-7-6-10-22(23)25(35)32(18)21-14-12-20(13-15-21)24(34)31-33-26(36)28(2,30-27(33)37)17-16-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,30,37)(H,31,34)/t28-/m0/s1
InChIKeyHGFWFGZBKMQZGN-NDEPHWFRSA-N
XLogP3.28
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.28
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-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 41251194
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9265772
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indazole-3-carboxamide
CID 31438081
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 31435973
3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 46655208

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 40953027) is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is HGFWFGZBKMQZGN-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H25N5O4/c1-18-29-23-11-7-6-10-22(23)25(35)32(18)21-14-12-20(13-15-21)24(34)31-33-26(36)28(2,30-27(33)37)17-16-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,30,37)(H,31,34)/t28-/m0/s1.
What are the key properties of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 495.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 40953027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).