1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide

C12H11ClN4O2 — CID 122517687

IUPAC1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide
SMILESNC(=O)c1ncn(Cc2cccc(Cl)c2)c1C(N)=O
InChIInChI=1S/C12H11ClN4O2/c13-8-3-1-2-7(4-8)5-17-6-16-9(11(14)18)10(17)12(15)19/h1-4,6H,5H2,(H2,14,18)(H2,15,19)
InChIKeyZRYRRWSIICKYQU-UHFFFAOYSA-N
MW278.70 g/mol
LogP0.78
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide

1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide (PubChem CID 122517687) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide
PubChem CID122517687
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide
SMILESNC(=O)c1ncn(Cc2cccc(Cl)c2)c1C(N)=O
InChIInChI=1S/C12H11ClN4O2/c13-8-3-1-2-7(4-8)5-17-6-16-9(11(14)18)10(17)12(15)19/h1-4,6H,5H2,(H2,14,18)(H2,15,19)
InChIKeyZRYRRWSIICKYQU-UHFFFAOYSA-N
XLogP0.78
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517680
ethyl 5-amino-1-[(3-chlorophenyl)methyl]imidazole-4-carboxylate
CID 55086211
4-[(3-chlorophenyl)methyl]-1,2,4-triazole-3-carboxylic acid
CID 83897709
1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517685
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide
CID 139986469
3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
1-benzyl-5-chloroimidazole-4-carboxylic acid
CID 68558649
1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide
CID 68661897
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 27065071
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
5-amino-1-[(3-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82589276

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide (CID 122517687) is 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide is NC(=O)c1ncn(Cc2cccc(Cl)c2)c1C(N)=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide?
The InChIKey is ZRYRRWSIICKYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-8-3-1-2-7(4-8)5-17-6-16-9(11(14)18)10(17)12(15)19/h1-4,6H,5H2,(H2,14,18)(H2,15,19).
What are the key properties of 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide?
1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide has a molecular weight of 278.70 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122517687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).