N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide

C10H16BrN3O — CID 107975347

IUPACN-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
SMILESCC(Br)C(C)(C)NC(=O)c1cn(C)cn1
InChIInChI=1S/C10H16BrN3O/c1-7(11)10(2,3)13-9(15)8-5-14(4)6-12-8/h5-7H,1-4H3,(H,13,15)
InChIKeySNTCTSAVACKHHB-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.71
Rot. Bonds3

About N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide

N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide (PubChem CID 107975347) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
PubChem CID107975347
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
SMILESCC(Br)C(C)(C)NC(=O)c1cn(C)cn1
InChIInChI=1S/C10H16BrN3O/c1-7(11)10(2,3)13-9(15)8-5-14(4)6-12-8/h5-7H,1-4H3,(H,13,15)
InChIKeySNTCTSAVACKHHB-UHFFFAOYSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-bromoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975155
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269
N-[1-(4-bromophenyl)ethyl]-1-methylimidazole-4-carboxamide
CID 113340016
N-(4-chloropentan-2-yl)-1-methylimidazole-4-carboxamide
CID 107975233
N-(4-hydroxy-3-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
CID 103860562
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazole-4-carboxamide
CID 107975187
5,5-dimethyl-3-[(1-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 107971710
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
CID 103860044
4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
CID 107971121
3-(benzimidazol-1-yl)-2-methyl-2-[(1-methylimidazole-4-carbonyl)amino]propanoic acid
CID 136572132
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
CID 107973596
N-[2-(1-chloroethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975038

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide (CID 107975347) is N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide is CC(Br)C(C)(C)NC(=O)c1cn(C)cn1.
What is the InChIKey of N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide?
The InChIKey is SNTCTSAVACKHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-7(11)10(2,3)13-9(15)8-5-14(4)6-12-8/h5-7H,1-4H3,(H,13,15).
What are the key properties of N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide?
N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107975347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).