N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide

C10H6Cl3N3O — CID 81257477

IUPACN-(2,4,6-trichlorophenyl)imidazole-1-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C10H6Cl3N3O/c11-6-3-7(12)9(8(13)4-6)15-10(17)16-2-1-14-5-16/h1-5H,(H,15,17)
InChIKeyIYRHYYMBPCWVQI-UHFFFAOYSA-N
MW290.54 g/mol
LogP3.92
Rot. Bonds1

About N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide

N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide (PubChem CID 81257477) has the molecular formula C10H6Cl3N3O and a molecular weight of 290.54 g/mol. Its IUPAC name is N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,4,6-trichlorophenyl)imidazole-1-carboxamide
PubChem CID81257477
Molecular FormulaC10H6Cl3N3O
Molecular Weight290.54 g/mol
Exact Mass288.96
IUPAC NameN-(2,4,6-trichlorophenyl)imidazole-1-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C10H6Cl3N3O/c11-6-3-7(12)9(8(13)4-6)15-10(17)16-2-1-14-5-16/h1-5H,(H,15,17)
InChIKeyIYRHYYMBPCWVQI-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide
CID 79020132
N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide
CID 81257010
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide
CID 81257796
N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide
CID 114003640
N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883
N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257815
N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 81257554
N-(2-bromo-3-chlorophenyl)imidazole-1-carboxamide
CID 103481644
N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
CID 164927407
N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide
CID 81257482
N-(5-methyl-3-pyridinyl)imidazole-1-carboxamide
CID 107586878

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide?
The IUPAC name of N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide (CID 81257477) is N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)n1ccnc1.
What is the InChIKey of N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide?
The InChIKey is IYRHYYMBPCWVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3O/c11-6-3-7(12)9(8(13)4-6)15-10(17)16-2-1-14-5-16/h1-5H,(H,15,17).
What are the key properties of N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide?
N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide has a molecular weight of 290.54 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).