5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide

C19H18N4O3 — CID 4736413

IUPAC5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc(NC(=O)c2nc[nH]c2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H18N4O3/c1-26-15-9-5-8-14(10-15)23-19(25)17-16(21-12-22-17)18(24)20-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22)(H,23,25)
InChIKeyZTFNFJHOZKNCPD-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.60
Rot. Bonds6

About 5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide

5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 4736413) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID4736413
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc(NC(=O)c2nc[nH]c2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H18N4O3/c1-26-15-9-5-8-14(10-15)23-19(25)17-16(21-12-22-17)18(24)20-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22)(H,23,25)
InChIKeyZTFNFJHOZKNCPD-UHFFFAOYSA-N
XLogP2.60
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-benzyl-4-N-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736412
5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736415
4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide
CID 24985262
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979
6-N-(3-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109098040
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-[[3-(methylamino)phenyl]methyl]-1H-imidazole-4,5-dicarboxamide
CID 145282625
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide (CID 4736413) is 5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide is COc1cccc(NC(=O)c2nc[nH]c2C(=O)NCc2ccccc2)c1.
What is the InChIKey of 5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is ZTFNFJHOZKNCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-26-15-9-5-8-14(10-15)23-19(25)17-16(21-12-22-17)18(24)20-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22)(H,23,25).
What are the key properties of 5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 4736413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).