1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide

C13H14N4O3 — CID 122517680

IUPAC1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide
SMILESCOc1ccc(Cn2cnc(C(N)=O)c2C(N)=O)cc1
InChIInChI=1S/C13H14N4O3/c1-20-9-4-2-8(3-5-9)6-17-7-16-10(12(14)18)11(17)13(15)19/h2-5,7H,6H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyHHQKYQWKOHCETL-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.14
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide

1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide (PubChem CID 122517680) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide
PubChem CID122517680
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide
SMILESCOc1ccc(Cn2cnc(C(N)=O)c2C(N)=O)cc1
InChIInChI=1S/C13H14N4O3/c1-20-9-4-2-8(3-5-9)6-17-7-16-10(12(14)18)11(17)13(15)19/h2-5,7H,6H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyHHQKYQWKOHCETL-UHFFFAOYSA-N
XLogP0.14
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate
CID 154942266
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 156516413
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitroimidazole
CID 23242063
4-[[2-chloro-6-[(4-methoxyphenyl)methylamino]purin-9-yl]methyl]benzamide
CID 121390711
3-[(4-ethoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82301541
3-[(4-phenylmethoxyphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
CID 18360225
1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide
CID 59363114
methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745461
1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 141220719
5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide
CID 25030683

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide (CID 122517680) is 1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide is COc1ccc(Cn2cnc(C(N)=O)c2C(N)=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide?
The InChIKey is HHQKYQWKOHCETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-9-4-2-8(3-5-9)6-17-7-16-10(12(14)18)11(17)13(15)19/h2-5,7H,6H2,1H3,(H2,14,18)(H2,15,19).
What are the key properties of 1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide?
1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122517680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).