N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide

C10H16BrN3O — CID 103512202

IUPACN-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide
SMILESCC(C)C(Br)CNC(=O)c1cncn1C
InChIInChI=1S/C10H16BrN3O/c1-7(2)8(11)4-13-10(15)9-5-12-6-14(9)3/h5-8H,4H2,1-3H3,(H,13,15)
InChIKeyHBCLYVMEYQEMSR-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.57
Rot. Bonds4

About N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide

N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide (PubChem CID 103512202) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide
PubChem CID103512202
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide
SMILESCC(C)C(Br)CNC(=O)c1cncn1C
InChIInChI=1S/C10H16BrN3O/c1-7(2)8(11)4-13-10(15)9-5-12-6-14(9)3/h5-8H,4H2,1-3H3,(H,13,15)
InChIKeyHBCLYVMEYQEMSR-UHFFFAOYSA-N
XLogP1.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopentyl)-3-methylimidazole-4-carboxamide
CID 103512206
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 125445492
N-[2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 122568960
N-(2-hydroxy-4-methylpentyl)-3-methylimidazole-4-carboxamide
CID 107155312
N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
CID 107261964
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 126796065
N-(3-chloropropyl)-3-methylimidazole-4-carboxamide
CID 103511152
2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107832370
(2S)-2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107834565
N-(5-chloro-4-methylpentyl)-3-methylimidazole-4-carboxamide
CID 106156832
N-(2-cyanoethyl)-3-methylimidazole-4-carboxamide
CID 103510931

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide (CID 103512202) is N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide is CC(C)C(Br)CNC(=O)c1cncn1C.
What is the InChIKey of N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide?
The InChIKey is HBCLYVMEYQEMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-7(2)8(11)4-13-10(15)9-5-12-6-14(9)3/h5-8H,4H2,1-3H3,(H,13,15).
What are the key properties of N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide?
N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103512202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).