4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide

C19H18N4O2 — CID 745568

IUPAC4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N4O2/c1-12-3-7-14(8-4-12)22-18(24)16-17(21-11-20-16)19(25)23-15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyGCAIHYMXLHPWPZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.53
Rot. Bonds4

About 4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide

4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 745568) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID745568
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H18N4O2/c1-12-3-7-14(8-4-12)22-18(24)16-17(21-11-20-16)19(25)23-15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyGCAIHYMXLHPWPZ-UHFFFAOYSA-N
XLogP3.53
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 745568) is 4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is GCAIHYMXLHPWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-3-7-14(8-4-12)22-18(24)16-17(21-11-20-16)19(25)23-15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(4-methylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 745568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).