4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid

C26H23N3O3 — CID 52948352

IUPAC4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2ccccc2)nc1C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H23N3O3/c30-25(22-23(26(31)32)28-24(27-22)21-14-8-3-9-15-21)29(18-20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,27,28)(H,31,32)
InChIKeyXJLNQOIHQWKQEL-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.66
Rot. Bonds8

About 4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid

4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid (PubChem CID 52948352) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid
PubChem CID52948352
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2ccccc2)nc1C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H23N3O3/c30-25(22-23(26(31)32)28-24(27-22)21-14-8-3-9-15-21)29(18-20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,27,28)(H,31,32)
InChIKeyXJLNQOIHQWKQEL-UHFFFAOYSA-N
XLogP4.66
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid (CID 52948352) is 4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]c(-c2ccccc2)nc1C(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid?
The InChIKey is XJLNQOIHQWKQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25(22-23(26(31)32)28-24(27-22)21-14-8-3-9-15-21)29(18-20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,27,28)(H,31,32).
What are the key properties of 4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid?
4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid has a molecular weight of 425.49 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(2-phenylethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 52948352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).