4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide

C19H18N4O2 — CID 571692

IUPAC4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide
SMILESO=C(NCc1ccccc1)c1nc[nH]c1C(=O)NCc1ccccc1
InChIInChI=1S/C19H18N4O2/c24-18(20-11-14-7-3-1-4-8-14)16-17(23-13-22-16)19(25)21-12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyPDEHDLLHIJNESD-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.27
Rot. Bonds6

About 4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide

4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 571692) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide
PubChem CID571692
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide
SMILESO=C(NCc1ccccc1)c1nc[nH]c1C(=O)NCc1ccccc1
InChIInChI=1S/C19H18N4O2/c24-18(20-11-14-7-3-1-4-8-14)16-17(23-13-22-16)19(25)21-12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyPDEHDLLHIJNESD-UHFFFAOYSA-N
XLogP2.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide (CID 571692) is 4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide is O=C(NCc1ccccc1)c1nc[nH]c1C(=O)NCc1ccccc1.
What is the InChIKey of 4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is PDEHDLLHIJNESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(20-11-14-7-3-1-4-8-14)16-17(23-13-22-16)19(25)21-12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide?
4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-dibenzyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 571692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).