2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid

C25H20ClN3O3 — CID 52944295

IUPAC2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2cccc(Cl)c2)nc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H20ClN3O3/c26-20-13-7-12-19(14-20)23-27-21(22(28-23)25(31)32)24(30)29(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,27,28)(H,31,32)
InChIKeyCDGNCNLGIFVIFQ-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.27
Rot. Bonds7

About 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid

2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid (PubChem CID 52944295) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid
PubChem CID52944295
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC Name2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2cccc(Cl)c2)nc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H20ClN3O3/c26-20-13-7-12-19(14-20)23-27-21(22(28-23)25(31)32)24(30)29(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,27,28)(H,31,32)
InChIKeyCDGNCNLGIFVIFQ-UHFFFAOYSA-N
XLogP5.27
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid (CID 52944295) is 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]c(-c2cccc(Cl)c2)nc1C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is CDGNCNLGIFVIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c26-20-13-7-12-19(14-20)23-27-21(22(28-23)25(31)32)24(30)29(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,27,28)(H,31,32).
What are the key properties of 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid?
2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 445.91 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 52944295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).