2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide

C12H11ClN4O2 — CID 66623191

IUPAC2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc(Cc2ccccc2Cl)[nH]c1C(N)=O
InChIInChI=1S/C12H11ClN4O2/c13-7-4-2-1-3-6(7)5-8-16-9(11(14)18)10(17-8)12(15)19/h1-4H,5H2,(H2,14,18)(H2,15,19)(H,16,17)
InChIKeyKDXMCJUPWNUFCT-UHFFFAOYSA-N
MW278.70 g/mol
LogP0.85
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide

2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 66623191) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID66623191
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc(Cc2ccccc2Cl)[nH]c1C(N)=O
InChIInChI=1S/C12H11ClN4O2/c13-7-4-2-1-3-6(7)5-8-16-9(11(14)18)10(17-8)12(15)19/h1-4H,5H2,(H2,14,18)(H2,15,19)(H,16,17)
InChIKeyKDXMCJUPWNUFCT-UHFFFAOYSA-N
XLogP0.85
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-[(2-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978376
5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66284950
2-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251173
5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine
CID 3310784
2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole
CID 141255861
4-[(2-chlorophenyl)methyl]-3-ethylbenzamide
CID 174688363
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
CID 19904227
2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135850609
5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 2815312
2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
CID 60978242
ethyl 2-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2103936
5-[(2-chlorophenyl)methyl]-2H-triazole-4-carboxylic acid
CID 103115040

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide (CID 66623191) is 2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide is NC(=O)c1nc(Cc2ccccc2Cl)[nH]c1C(N)=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is KDXMCJUPWNUFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-7-4-2-1-3-6(7)5-8-16-9(11(14)18)10(17-8)12(15)19/h1-4H,5H2,(H2,14,18)(H2,15,19)(H,16,17).
What are the key properties of 2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide?
2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 278.70 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).