benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate

C22H22N4O4 — CID 24789494

IUPACbenzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate
SMILESCN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C22H22N4O4/c1-26(13-16-8-4-2-5-9-16)22(29)20-19(24-15-25-20)21(28)23-12-18(27)30-14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,23,28)(H,24,25)
InChIKeyJQYOYPBLHGYXFI-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.16
Rot. Bonds8

About benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate

benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate (PubChem CID 24789494) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate
PubChem CID24789494
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Namebenzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate
SMILESCN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C22H22N4O4/c1-26(13-16-8-4-2-5-9-16)22(29)20-19(24-15-25-20)21(28)23-12-18(27)30-14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,23,28)(H,24,25)
InChIKeyJQYOYPBLHGYXFI-UHFFFAOYSA-N
XLogP2.16
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate?
The IUPAC name of benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate (CID 24789494) is benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate?
The canonical SMILES for benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate is CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate?
The InChIKey is JQYOYPBLHGYXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-26(13-16-8-4-2-5-9-16)22(29)20-19(24-15-25-20)21(28)23-12-18(27)30-14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,23,28)(H,24,25).
What are the key properties of benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate?
benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate has a molecular weight of 406.44 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 24789494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).