N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

C11H10BrN3O3 — CID 63091406

IUPACN-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2c[nH]c(=O)[nH]2)c1
InChIInChI=1S/C11H10BrN3O3/c1-18-6-2-3-7(12)8(4-6)14-10(16)9-5-13-11(17)15-9/h2-5H,1H3,(H,14,16)(H2,13,15,17)
InChIKeyFCLLQPURBCWMBR-UHFFFAOYSA-N
MW312.12 g/mol
LogP1.73
Rot. Bonds3

About N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 63091406) has the molecular formula C11H10BrN3O3 and a molecular weight of 312.12 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID63091406
Molecular FormulaC11H10BrN3O3
Molecular Weight312.12 g/mol
Exact Mass310.99
IUPAC NameN-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2c[nH]c(=O)[nH]2)c1
InChIInChI=1S/C11H10BrN3O3/c1-18-6-2-3-7(12)8(4-6)14-10(16)9-5-13-11(17)15-9/h2-5H,1H3,(H,14,16)(H2,13,15,17)
InChIKeyFCLLQPURBCWMBR-UHFFFAOYSA-N
XLogP1.73
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
CID 115410954
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238
N-(2-bromo-4-chlorophenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 81271762
5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
CID 51130825
N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 82757582
N-(2-bromo-4-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 61128605
N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide
CID 62415637
5-bromo-N-(2-bromo-5-methoxyphenyl)thiophene-3-carboxamide
CID 62415455
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 63091406) is N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is COc1ccc(Br)c(NC(=O)c2c[nH]c(=O)[nH]2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is FCLLQPURBCWMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3/c1-18-6-2-3-7(12)8(4-6)14-10(16)9-5-13-11(17)15-9/h2-5H,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 312.12 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 63091406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).