methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate

C24H21N3O3 — CID 59388667

IUPACmethyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1
InChIInChI=1S/C24H21N3O3/c1-30-21(28)18-14-12-17(13-15-18)16-27-22(29)24(26-23(27)25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H2,25,26)
InChIKeyPXNRDNQGJXKZEJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.07
Rot. Bonds5

About methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate

methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate (PubChem CID 59388667) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate
PubChem CID59388667
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Namemethyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1
InChIInChI=1S/C24H21N3O3/c1-30-21(28)18-14-12-17(13-15-18)16-27-22(29)24(26-23(27)25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H2,25,26)
InChIKeyPXNRDNQGJXKZEJ-UHFFFAOYSA-N
XLogP3.07
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide
CID 25006056
2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 145460426
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-butan-2-ylbenzamide
CID 59387294
methyl 4-[5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 135156034
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide
CID 155059056
N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide
CID 59388804
2-amino-3-(4-aminobutyl)-5,5-diphenylimidazol-4-one
CID 89248187
2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one
CID 59388082
2-amino-3-[[4-(oxocan-4-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 145461543
2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one
CID 135155815
methyl 4-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]benzoate
CID 102121064

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate (CID 59388667) is methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate is COC(=O)c1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1.
What is the InChIKey of methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate?
The InChIKey is PXNRDNQGJXKZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-30-21(28)18-14-12-17(13-15-18)16-27-22(29)24(26-23(27)25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H2,25,26).
What are the key properties of methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate?
methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate has a molecular weight of 399.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate is sourced from PubChem (CID 59388667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).