5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

C20H18ClN5O3 — CID 118419029

About 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419029) has the molecular formula C20H18ClN5O3 and a molecular weight of 411.85 g/mol. Its IUPAC name is 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
• PubChem CID: 118419029
• Molecular Formula: C20H18ClN5O3
• Molecular Weight: 411.85 g/mol
• Exact Mass: 411.11
• IUPAC Name: 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(N(C)C(=O)c3[nH]cnc3C(N)=O)cc2)c(Cl)c1
• InChI: InChI=1S/C20H18ClN5O3/c1-11-3-8-14(15(21)9-11)19(28)25-12-4-6-13(7-5-12)26(2)20(29)17-16(18(22)27)23-10-24-17/h3-10H,1-2H3,(H2,22,27)(H,23,24)(H,25,28)
• InChIKey: GQKJVOJUVYBYHQ-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 121.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.85
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?

The IUPAC name of 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 118419029) is 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

What is the SMILES notation for 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?

The canonical SMILES for 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is Cc1ccc(C(=O)Nc2ccc(N(C)C(=O)c3[nH]cnc3C(N)=O)cc2)c(Cl)c1.

What is the InChIKey of 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?

The InChIKey is GQKJVOJUVYBYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3/c1-11-3-8-14(15(21)9-11)19(28)25-12-4-6-13(7-5-12)26(2)20(29)17-16(18(22)27)23-10-24-17/h3-10H,1-2H3,(H2,22,27)(H,23,24)(H,25,28).

What are the key properties of 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?

5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 411.85 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).