5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide

C15H18N4O2 — CID 42628353

IUPAC5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
SMILESCCN(CC)C(=O)c1[nH]cnc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H18N4O2/c1-3-19(4-2)15(21)13-12(16-10-17-13)14(20)18-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyCXVHGJRNODOUOK-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.14
Rot. Bonds5

About 5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide

5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 42628353) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
PubChem CID42628353
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
SMILESCCN(CC)C(=O)c1[nH]cnc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H18N4O2/c1-3-19(4-2)15(21)13-12(16-10-17-13)14(20)18-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyCXVHGJRNODOUOK-UHFFFAOYSA-N
XLogP2.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 312385
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5-(Hydrazinocarbonyl)-N-(2-nitrophenyl)-1H-imidazole-4-carboxamide
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5-Phenylcarbamoyl-3H-imidazole-4-carboxylic acid
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1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10563032
2-anilino-9-[4-(3,5-dimethylpiperazin-1-yl)butyl]-1H-purin-6-one
CID 135445239
2-anilino-9-[4-(1-piperidyl)butyl]-1H-purin-6-one
CID 135476564
2-anilino-9-[4-(dimethylamino)butyl]-1H-purin-6-one
CID 135489188
2-anilino-9-[4-[ethyl(methyl)amino]butyl]-1H-purin-6-one
CID 135497108
2-anilino-9-[4-(diethylamino)butyl]-1H-purin-6-one
CID 135497121

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide (CID 42628353) is 5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide is CCN(CC)C(=O)c1[nH]cnc1C(=O)Nc1ccccc1.
What is the InChIKey of 5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is CXVHGJRNODOUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-19(4-2)15(21)13-12(16-10-17-13)14(20)18-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of 5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 42628353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).