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

C21H20ClN5O4 — CID 118419409

IUPAC5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
SMILESCCN(C(=O)c1[nH]cnc1C(N)=O)c1ccc(NC(=O)c2cccc(OC)c2Cl)cc1
InChIInChI=1S/C21H20ClN5O4/c1-3-27(21(30)18-17(19(23)28)24-11-25-18)13-9-7-12(8-10-13)26-20(29)14-5-4-6-15(31-2)16(14)22/h4-11H,3H2,1-2H3,(H2,23,28)(H,24,25)(H,26,29)
InChIKeyGETBHWZKZVGBQD-UHFFFAOYSA-N
MW441.88 g/mol
LogP3.09
Rot. Bonds7

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

5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419409) has the molecular formula C21H20ClN5O4 and a molecular weight of 441.88 g/mol. Its IUPAC name is 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
PubChem CID118419409
Molecular FormulaC21H20ClN5O4
Molecular Weight441.88 g/mol
Exact Mass441.12
IUPAC Name5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
SMILESCCN(C(=O)c1[nH]cnc1C(N)=O)c1ccc(NC(=O)c2cccc(OC)c2Cl)cc1
InChIInChI=1S/C21H20ClN5O4/c1-3-27(21(30)18-17(19(23)28)24-11-25-18)13-9-7-12(8-10-13)26-20(29)14-5-4-6-15(31-2)16(14)22/h4-11H,3H2,1-2H3,(H2,23,28)(H,24,25)(H,26,29)
InChIKeyGETBHWZKZVGBQD-UHFFFAOYSA-N
XLogP3.09
TPSA130.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 134232324
5-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419525
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
1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419406
5-N-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1H-imidazole-4,5-dicarboxamide
CID 118419053
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-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419632
5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide
CID 118419258
5-N-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-[2,2-dimethyl-3-(4-methylpiperazin-1-yl)propyl]-1H-imidazole-4,5-dicarboxamide
CID 118419440
5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 118419627

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide (CID 118419409) is 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide is CCN(C(=O)c1[nH]cnc1C(N)=O)c1ccc(NC(=O)c2cccc(OC)c2Cl)cc1.
What is the InChIKey of 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is GETBHWZKZVGBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O4/c1-3-27(21(30)18-17(19(23)28)24-11-25-18)13-9-7-12(8-10-13)26-20(29)14-5-4-6-15(31-2)16(14)22/h4-11H,3H2,1-2H3,(H2,23,28)(H,24,25)(H,26,29).
What are the key properties of 5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 441.88 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 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]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).