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

C20H19N5O4 — CID 118419436

IUPAC5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(N(C)C(=O)c3[nH]cnc3C(N)=O)cc2)c1
InChIInChI=1S/C20H19N5O4/c1-25(20(28)17-16(18(21)26)22-11-23-17)14-8-6-13(7-9-14)24-19(27)12-4-3-5-15(10-12)29-2/h3-11H,1-2H3,(H2,21,26)(H,22,23)(H,24,27)
InChIKeyYJLVWROKQJQZEZ-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.05
Rot. Bonds6

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

5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419436) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID118419436
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(N(C)C(=O)c3[nH]cnc3C(N)=O)cc2)c1
InChIInChI=1S/C20H19N5O4/c1-25(20(28)17-16(18(21)26)22-11-23-17)14-8-6-13(7-9-14)24-19(27)12-4-3-5-15(10-12)29-2/h3-11H,1-2H3,(H2,21,26)(H,22,23)(H,24,27)
InChIKeyYJLVWROKQJQZEZ-UHFFFAOYSA-N
XLogP2.05
TPSA130.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-[(2-hydroxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419301
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
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986095
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 118419409
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419223
5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 118419627
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 134232324
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17230251

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 118419436) is 5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is COc1cccc(C(=O)Nc2ccc(N(C)C(=O)c3[nH]cnc3C(N)=O)cc2)c1.
What is the InChIKey of 5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is YJLVWROKQJQZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-25(20(28)17-16(18(21)26)22-11-23-17)14-8-6-13(7-9-14)24-19(27)12-4-3-5-15(10-12)29-2/h3-11H,1-2H3,(H2,21,26)(H,22,23)(H,24,27).
What are the key properties of 5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 393.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).