3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide

C17H13Cl2N3O2 — CID 112523234

IUPAC3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H13Cl2N3O2/c18-12-6-7-13(19)14(8-12)21-16(23)15-9-20-17(24)22(15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,24)(H,21,23)
InChIKeyJROUQWURWSLZQV-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.78
Rot. Bonds4

About 3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide

3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide (PubChem CID 112523234) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide
PubChem CID112523234
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H13Cl2N3O2/c18-12-6-7-13(19)14(8-12)21-16(23)15-9-20-17(24)22(15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,24)(H,21,23)
InChIKeyJROUQWURWSLZQV-UHFFFAOYSA-N
XLogP3.78
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
3-benzyl-2-oxo-N-(4-phenoxyphenyl)-1H-imidazole-4-carboxamide
CID 112523899
3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112523286
1-benzyl-N-(2,5-dichlorophenyl)triazole-4-carboxamide
CID 31701106
3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4210205
3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112522455
N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
CID 112528155
N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
CID 112525477
N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025290
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide?
The IUPAC name of 3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide (CID 112523234) is 3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide?
The canonical SMILES for 3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1c[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide?
The InChIKey is JROUQWURWSLZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-12-6-7-13(19)14(8-12)21-16(23)15-9-20-17(24)22(15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,24)(H,21,23).
What are the key properties of 3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide?
3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide is sourced from PubChem (CID 112523234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).