5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide

C14H17N5O2 — CID 144936571

IUPAC5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC)cc1
InChIInChI=1S/C14H17N5O2/c1-3-16-13(20)11-12(18-8-17-11)14(21)19-10-6-4-9(15-2)5-7-10/h4-8,15H,3H2,1-2H3,(H,16,20)(H,17,18)(H,19,21)
InChIKeyOXZAPMVHOLQDBU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.45
Rot. Bonds5

About 5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide

5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 144936571) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID144936571
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC)cc1
InChIInChI=1S/C14H17N5O2/c1-3-16-13(20)11-12(18-8-17-11)14(21)19-10-6-4-9(15-2)5-7-10/h4-8,15H,3H2,1-2H3,(H,16,20)(H,17,18)(H,19,21)
InChIKeyOXZAPMVHOLQDBU-UHFFFAOYSA-N
XLogP1.45
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 118419604
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
5-N-(2,2-dimethylpropyl)-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide;4-fluorobenzaldehyde
CID 144936548
5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 46264443
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736415
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 118419725
tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
CID 16746593
4-N-[4-[(3,5-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123530024
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

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide (CID 144936571) is 5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide is CCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC)cc1.
What is the InChIKey of 5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is OXZAPMVHOLQDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-16-13(20)11-12(18-8-17-11)14(21)19-10-6-4-9(15-2)5-7-10/h4-8,15H,3H2,1-2H3,(H,16,20)(H,17,18)(H,19,21).
What are the key properties of 5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide?
5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 144936571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).