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

C10H16BrN3O — CID 103512212

IUPACN-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NC(C)(C)CCBr
InChIInChI=1S/C10H16BrN3O/c1-10(2,4-5-11)13-9(15)8-6-12-7-14(8)3/h6-7H,4-5H2,1-3H3,(H,13,15)
InChIKeyIRVJAMSPXWQGLP-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.71
Rot. Bonds4

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

N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide (PubChem CID 103512212) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide
PubChem CID103512212
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NC(C)(C)CCBr
InChIInChI=1S/C10H16BrN3O/c1-10(2,4-5-11)13-9(15)8-6-12-7-14(8)3/h6-7H,4-5H2,1-3H3,(H,13,15)
InChIKeyIRVJAMSPXWQGLP-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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-(1-bromo-4,4-dimethylpentan-3-yl)-3-methylimidazole-4-carboxamide
CID 106356199
N-[3-(chloromethyl)pentan-3-yl]-3-methylimidazole-4-carboxamide
CID 103512130
2,2-dimethyl-3-[(3-methylimidazole-4-carbonyl)amino]propanoic acid
CID 103510668
3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 126796065
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
N-(2-methoxyethoxy)-3-methylimidazole-4-carboxamide
CID 103511267
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
N-(2-bromo-3-methylbutyl)-3-methylimidazole-4-carboxamide
CID 103512202
N-(3-chloropropyl)-3-methylimidazole-4-carboxamide
CID 103511152
N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide
CID 106366597
N-(2-bromopentyl)-3-methylimidazole-4-carboxamide
CID 103512206
N-(2-cyanoethyl)-3-methylimidazole-4-carboxamide
CID 103510931

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide (CID 103512212) is N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NC(C)(C)CCBr.
What is the InChIKey of N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide?
The InChIKey is IRVJAMSPXWQGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-10(2,4-5-11)13-9(15)8-6-12-7-14(8)3/h6-7H,4-5H2,1-3H3,(H,13,15).
What are the key properties of N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide?
N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutan-2-yl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103512212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).