N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide

C11H9Cl2N3O2 — CID 107675810

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H9Cl2N3O2/c1-16-5-14-4-9(16)11(18)15-8-3-6(12)2-7(13)10(8)17/h2-5,17H,1H3,(H,15,18)
InChIKeyVOYGHHUETPWSHS-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.68
Rot. Bonds2

About N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide

N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide (PubChem CID 107675810) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
PubChem CID107675810
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H9Cl2N3O2/c1-16-5-14-4-9(16)11(18)15-8-3-6(12)2-7(13)10(8)17/h2-5,17H,1H3,(H,15,18)
InChIKeyVOYGHHUETPWSHS-UHFFFAOYSA-N
XLogP2.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-carbamothioyl-5-chlorophenyl)-3-methylimidazole-4-carboxamide
CID 103511023
N-(3,5-dichloro-2-hydroxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103891192
methyl 4-chloro-3-[(3-methylimidazole-4-carbonyl)amino]benzoate
CID 110861825
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 110861901
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103511804
N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide
CID 110864315
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide
CID 103512452
N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107675583
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
CID 136543276
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110863038

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide (CID 107675810) is N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide?
The InChIKey is VOYGHHUETPWSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-16-5-14-4-9(16)11(18)15-8-3-6(12)2-7(13)10(8)17/h2-5,17H,1H3,(H,15,18).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide?
N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide has a molecular weight of 286.12 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 107675810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).