4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid

C25H21N3O3 — CID 52940712

IUPAC4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2ccccc2)nc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H21N3O3/c29-24(21-22(25(30)31)27-23(26-21)20-14-8-3-9-15-20)28(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,26,27)(H,30,31)
InChIKeyQLEMUSZICZCEGW-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.62
Rot. Bonds7

About 4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid

4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid (PubChem CID 52940712) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
PubChem CID52940712
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2ccccc2)nc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H21N3O3/c29-24(21-22(25(30)31)27-23(26-21)20-14-8-3-9-15-20)28(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,26,27)(H,30,31)
InChIKeyQLEMUSZICZCEGW-UHFFFAOYSA-N
XLogP4.62
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1H-imidazole-4,5-dicarboxylic acid
CID 221007
5-Methyl-2-phenyl-1H-imidazole-4-carboxylic acid
CID 120065
4-[(2-Amino-2-Oxoethyl)(Methyl)carbamoyl]-2-Phenyl-1h-Imidazole-5-Carboxylic Acid
CID 49835940
5-[benzyl(Methyl)carbamoyl]-2-(3-Chlorophenyl)-1h-Imidazole-4-Carboxylic Acid
CID 49835941
3-[4-(1,3-Dibenzyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid
CID 9912946
2-(3-fluorophenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 50899252
(2S)-2-[(2-benzhydryl-4-phenyl-1H-imidazole-5-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 89570463
5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid
CID 52943237
4-(Morpholin-4-Ylcarbonyl)-2-Phenyl-1h-Imidazole-5-Carboxylic Acid
CID 49835938
4-(benzyl(phenethyl)carbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
CID 52948352
2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid
CID 52944295
4-(benzyl(2-ethoxy-2-oxoethyl)carbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid
CID 52945544

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid (CID 52940712) is 4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]c(-c2ccccc2)nc1C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
The InChIKey is QLEMUSZICZCEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-24(21-22(25(30)31)27-23(26-21)20-14-8-3-9-15-20)28(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,26,27)(H,30,31).
What are the key properties of 4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid?
4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid has a molecular weight of 411.46 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 52940712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).