benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate

C17H15N3O3 — CID 15054177

IUPACbenzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate
SMILESNC1=NC(=O)C(c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H15N3O3/c18-16-19-15(21)14(13-9-5-2-6-10-13)20(16)17(22)23-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,18,19,21)
InChIKeyDGENPWDXWWPTQA-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.22
Rot. Bonds3

About benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate

benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate (PubChem CID 15054177) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate
PubChem CID15054177
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Namebenzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate
SMILESNC1=NC(=O)C(c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H15N3O3/c18-16-19-15(21)14(13-9-5-2-6-10-13)20(16)17(22)23-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,18,19,21)
InChIKeyDGENPWDXWWPTQA-UHFFFAOYSA-N
XLogP2.22
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (4S)-2-amino-4-ethyl-5-oxo-4H-imidazole-3-carboxylate
CID 10467824
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
benzyl 2-oxo-3-phenylmorpholine-4-carboxylate
CID 10946862
(2S,3S,4R)-4-hydroxy-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 71294713
benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
CID 15479399
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate
CID 15054174
benzyl (1S,5R)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 11859502
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl (1S,5S)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 6928656
benzyl 3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 2802741

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate?
The IUPAC name of benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate (CID 15054177) is benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate.
What is the SMILES notation for benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate?
The canonical SMILES for benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate is NC1=NC(=O)C(c2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate?
The InChIKey is DGENPWDXWWPTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-16-19-15(21)14(13-9-5-2-6-10-13)20(16)17(22)23-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,18,19,21).
What are the key properties of benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate?
benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate is sourced from PubChem (CID 15054177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).