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

C19H16ClN5O3 — CID 118419632

IUPAC5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCN(C(=O)c1[nH]cnc1C(N)=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClN5O3/c1-25(19(28)16-15(17(21)26)22-10-23-16)14-8-6-13(7-9-14)24-18(27)11-2-4-12(20)5-3-11/h2-10H,1H3,(H2,21,26)(H,22,23)(H,24,27)
InChIKeyDDJUKOSWMMXOKU-UHFFFAOYSA-N
MW397.82 g/mol
LogP2.69
Rot. Bonds5

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

5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419632) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is 5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID118419632
Molecular FormulaC19H16ClN5O3
Molecular Weight397.82 g/mol
Exact Mass397.09
IUPAC Name5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCN(C(=O)c1[nH]cnc1C(N)=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClN5O3/c1-25(19(28)16-15(17(21)26)22-10-23-16)14-8-6-13(7-9-14)24-18(27)11-2-4-12(20)5-3-11/h2-10H,1H3,(H2,21,26)(H,22,23)(H,24,27)
InChIKeyDDJUKOSWMMXOKU-UHFFFAOYSA-N
XLogP2.69
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419472
5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419065
5-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419525
5-N-[4-[(2-chloro-6-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419255
5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419029
5-N-[4-[(2-hydroxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419301
5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419436
5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 118419627
5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419223
5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419685
4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959629
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 118419409

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 118419632) is 5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CN(C(=O)c1[nH]cnc1C(N)=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is DDJUKOSWMMXOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c1-25(19(28)16-15(17(21)26)22-10-23-16)14-8-6-13(7-9-14)24-18(27)11-2-4-12(20)5-3-11/h2-10H,1H3,(H2,21,26)(H,22,23)(H,24,27).
What are the key properties of 5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 397.82 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).