1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide

C11H9Cl2N3O — CID 142342451

IUPAC1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide
SMILESCNC(=O)c1cn(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C11H9Cl2N3O/c1-14-11(17)8-5-16(6-15-8)9-4-2-3-7(12)10(9)13/h2-6H,1H3,(H,14,17)
InChIKeyYDFQLZWRZIQBMU-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.54
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide

1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide (PubChem CID 142342451) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide
PubChem CID142342451
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide
SMILESCNC(=O)c1cn(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C11H9Cl2N3O/c1-14-11(17)8-5-16(6-15-8)9-4-2-3-7(12)10(9)13/h2-6H,1H3,(H,14,17)
InChIKeyYDFQLZWRZIQBMU-UHFFFAOYSA-N
XLogP2.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide (CID 142342451) is 1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide is CNC(=O)c1cn(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide?
The InChIKey is YDFQLZWRZIQBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-14-11(17)8-5-16(6-15-8)9-4-2-3-7(12)10(9)13/h2-6H,1H3,(H,14,17).
What are the key properties of 1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide?
1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide has a molecular weight of 270.12 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 142342451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).