benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate

C23H19N3O3 — CID 15054174

IUPACbenzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate
SMILESNC1=NC(=O)C(c2ccccc2)(c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C23H19N3O3/c24-21-25-20(27)23(18-12-6-2-7-13-18,19-14-8-3-9-15-19)26(21)22(28)29-16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,24,25,27)
InChIKeySETWNPPHVLVPCH-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.42
Rot. Bonds4

About benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate

benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate (PubChem CID 15054174) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate
PubChem CID15054174
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Namebenzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate
SMILESNC1=NC(=O)C(c2ccccc2)(c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C23H19N3O3/c24-21-25-20(27)23(18-12-6-2-7-13-18,19-14-8-3-9-15-19)26(21)22(28)29-16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,24,25,27)
InChIKeySETWNPPHVLVPCH-UHFFFAOYSA-N
XLogP3.42
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15054177
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CID 10467824
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
3-phenyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 118998171
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
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CID 158057698
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 3-(bromomethyl)azetidine-1-carboxylate
CID 175662964
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 178195250
(3R,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 25418029

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate?
The IUPAC name of benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate (CID 15054174) is benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate.
What is the SMILES notation for benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate?
The canonical SMILES for benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate is NC1=NC(=O)C(c2ccccc2)(c2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate?
The InChIKey is SETWNPPHVLVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c24-21-25-20(27)23(18-12-6-2-7-13-18,19-14-8-3-9-15-19)26(21)22(28)29-16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,24,25,27).
What are the key properties of benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate?
benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-4-oxo-5,5-diphenylimidazole-1-carboxylate is sourced from PubChem (CID 15054174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).