N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide

C15H18BrN3O — CID 10903810

IUPACN-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide
SMILESCCCCN(C(=O)c1cn(C)cn1)c1ccccc1Br
InChIInChI=1S/C15H18BrN3O/c1-3-4-9-19(14-8-6-5-7-12(14)16)15(20)13-10-18(2)11-17-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyAUHCAOQWBZXXEI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.63
Rot. Bonds5

About N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide

N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide (PubChem CID 10903810) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide
PubChem CID10903810
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide
SMILESCCCCN(C(=O)c1cn(C)cn1)c1ccccc1Br
InChIInChI=1S/C15H18BrN3O/c1-3-4-9-19(14-8-6-5-7-12(14)16)15(20)13-10-18(2)11-17-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyAUHCAOQWBZXXEI-UHFFFAOYSA-N
XLogP3.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-N,1-dimethylimidazole-4-carboxamide
CID 124614416
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide
CID 107970800
2-bromo-N-butyl-N-ethylbenzamide
CID 2164030
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide
CID 103803952
2-bromo-N,N-dibutylbenzamide
CID 2843235
N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide
CID 107971794
N-(2-bromophenyl)-N-ethyl-2-methylprop-2-enamide
CID 168864432
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1-methylimidazole-4-carboxamide
CID 107975497
N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
CID 115497112
2-bromo-N-dodecyl-N-ethylbenzamide
CID 91728318
4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide
CID 65355446
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide (CID 10903810) is N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide is CCCCN(C(=O)c1cn(C)cn1)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide?
The InChIKey is AUHCAOQWBZXXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-4-9-19(14-8-6-5-7-12(14)16)15(20)13-10-18(2)11-17-13/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide?
N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 10903810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).