5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide

C19H16ClN5O4 — CID 134232324

IUPAC5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)c3[nH]cnc3C(N)=O)cc2)c1Cl
InChIInChI=1S/C19H16ClN5O4/c1-29-13-4-2-3-12(14(13)20)18(27)24-10-5-7-11(8-6-10)25-19(28)16-15(17(21)26)22-9-23-16/h2-9H,1H3,(H2,21,26)(H,22,23)(H,24,27)(H,25,28)
InChIKeyLPBFSLQAIWZRKV-UHFFFAOYSA-N
MW413.82 g/mol
LogP2.68
Rot. Bonds6

About 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide

5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 134232324) has the molecular formula C19H16ClN5O4 and a molecular weight of 413.82 g/mol. Its IUPAC name is 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID134232324
Molecular FormulaC19H16ClN5O4
Molecular Weight413.82 g/mol
Exact Mass413.09
IUPAC Name5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)c3[nH]cnc3C(N)=O)cc2)c1Cl
InChIInChI=1S/C19H16ClN5O4/c1-29-13-4-2-3-12(14(13)20)18(27)24-10-5-7-11(8-6-10)25-19(28)16-15(17(21)26)22-9-23-16/h2-9H,1H3,(H2,21,26)(H,22,23)(H,24,27)(H,25,28)
InChIKeyLPBFSLQAIWZRKV-UHFFFAOYSA-N
XLogP2.68
TPSA139.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.82
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 118419409
5-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419525
4-N-[4-[(2-chloro-5-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424146
5-N-[4-[(2-hydroxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419301
1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419406
4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123706994
4-N-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424005
4-N-[4-[(2,5-dichlorothiophene-3-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424105
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419436
2-methoxy-N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735682
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide (CID 134232324) is 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide is COc1cccc(C(=O)Nc2ccc(NC(=O)c3[nH]cnc3C(N)=O)cc2)c1Cl.
What is the InChIKey of 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is LPBFSLQAIWZRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O4/c1-29-13-4-2-3-12(14(13)20)18(27)24-10-5-7-11(8-6-10)25-19(28)16-15(17(21)26)22-9-23-16/h2-9H,1H3,(H2,21,26)(H,22,23)(H,24,27)(H,25,28).
What are the key properties of 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 413.82 g/mol, XLogP of 2.68, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 134232324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).