N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide

C11H9Cl2N3O — CID 110864315

IUPACN-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-16-6-14-5-9(16)11(17)15-10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,15,17)
InChIKeyQNMSAXPQXOGBJZ-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.98
Rot. Bonds2

About N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide

N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide (PubChem CID 110864315) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide
PubChem CID110864315
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC NameN-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-16-6-14-5-9(16)11(17)15-10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,15,17)
InChIKeyQNMSAXPQXOGBJZ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide
CID 110863425
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide
CID 110858219
N-(6-chloropyridazin-3-yl)-3-methylimidazole-4-carboxamide
CID 103512448
N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide
CID 103512446
N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 107675810
3-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510399
methyl 4-chloro-3-[(3-methylimidazole-4-carbonyl)amino]benzoate
CID 110861825
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 110861901
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide
CID 167795285

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide (CID 110864315) is N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide?
The InChIKey is QNMSAXPQXOGBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-16-6-14-5-9(16)11(17)15-10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,15,17).
What are the key properties of N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide?
N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide has a molecular weight of 270.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 110864315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).