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

C20H19N5O4 — CID 123410514

IUPAC4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccc(C)cc2O)cc1
InChIInChI=1S/C20H19N5O4/c1-11-3-8-14(15(26)9-11)18(27)24-12-4-6-13(7-5-12)25-20(29)17-16(19(28)21-2)22-10-23-17/h3-10,26H,1-2H3,(H,21,28)(H,22,23)(H,24,27)(H,25,29)
InChIKeyWJRRPSNXNRXTLY-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.29
Rot. Bonds5

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

4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 123410514) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID123410514
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccc(C)cc2O)cc1
InChIInChI=1S/C20H19N5O4/c1-11-3-8-14(15(26)9-11)18(27)24-12-4-6-13(7-5-12)25-20(29)17-16(19(28)21-2)22-10-23-17/h3-10,26H,1-2H3,(H,21,28)(H,22,23)(H,24,27)(H,25,29)
InChIKeyWJRRPSNXNRXTLY-UHFFFAOYSA-N
XLogP2.29
TPSA136.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424076
4-N-[4-[(2,5-dichlorothiophene-3-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424105
4-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424117
4-N-[4-[(3,5-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123530024
4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123706994
4-N-[4-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424136
4-N-[4-[(2-chloro-5-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424146
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134232339
5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736407
4-N-[4-[(2-fluoro-4-pyrrolidin-1-ylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424089
4-N-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424005

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 123410514) is 4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccc(C)cc2O)cc1.
What is the InChIKey of 4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is WJRRPSNXNRXTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-11-3-8-14(15(26)9-11)18(27)24-12-4-6-13(7-5-12)25-20(29)17-16(19(28)21-2)22-10-23-17/h3-10,26H,1-2H3,(H,21,28)(H,22,23)(H,24,27)(H,25,29).
What are the key properties of 4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 393.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 123410514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).