N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C12H12BrN3O2 — CID 60739691

IUPACN-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)[nH]1)c1cccc(Br)c1
InChIInChI=1S/C12H12BrN3O2/c1-7(8-3-2-4-9(13)5-8)15-11(17)10-6-14-12(18)16-10/h2-7H,1H3,(H,15,17)(H2,14,16,18)
InChIKeyQJWVEWVCVBPXCO-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.96
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 60739691) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID60739691
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)[nH]1)c1cccc(Br)c1
InChIInChI=1S/C12H12BrN3O2/c1-7(8-3-2-4-9(13)5-8)15-11(17)10-6-14-12(18)16-10/h2-7H,1H3,(H,15,17)(H2,14,16,18)
InChIKeyQJWVEWVCVBPXCO-UHFFFAOYSA-N
XLogP1.96
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 60668873
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
N-[1-(3-bromophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 54896629
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CID 61021681
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
N-[1-(3-bromophenyl)ethyl]pyrimidine-5-carboxamide
CID 113434406
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide
CID 63716758
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 60739691) is N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is CC(NC(=O)c1c[nH]c(=O)[nH]1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is QJWVEWVCVBPXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-7(8-3-2-4-9(13)5-8)15-11(17)10-6-14-12(18)16-10/h2-7H,1H3,(H,15,17)(H2,14,16,18).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 60739691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).