5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole

C8H13BrN2 — CID 117259218

IUPAC5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole
SMILESCC(C)(C)Cc1ncc(Br)[nH]1
InChIInChI=1S/C8H13BrN2/c1-8(2,3)4-7-10-5-6(9)11-7/h5H,4H2,1-3H3,(H,10,11)
InChIKeyYPCUAIUKZAHPOG-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.76
Rot. Bonds1

About 5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole

5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole (PubChem CID 117259218) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole
PubChem CID117259218
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole
SMILESCC(C)(C)Cc1ncc(Br)[nH]1
InChIInChI=1S/C8H13BrN2/c1-8(2,3)4-7-10-5-6(9)11-7/h5H,4H2,1-3H3,(H,10,11)
InChIKeyYPCUAIUKZAHPOG-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
CID 83881752
5-bromo-2-(ethylsulfanylmethyl)-1H-imidazole
CID 117187407
1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine
CID 126983139
methyl 2-(2,2-dimethylpropyl)-1H-imidazole-5-carboxylate
CID 63891750
5-cyclohexa-1,3-dien-1-yl-2-(2,2-dimethylpropyl)-1H-imidazole
CID 170255072
1-[(5-bromo-1H-imidazol-2-yl)methyl]azepane
CID 117187157
4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol
CID 117187368
5-bromo-2-propan-2-ylsulfanyl-1H-imidazole
CID 117189579
1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol
CID 59162010
2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid
CID 116878922
2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
CID 116835015
5-bromo-2-[(2-fluorophenoxy)methyl]-1H-imidazole
CID 117187238

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole?
The IUPAC name of 5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole (CID 117259218) is 5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole.
What is the SMILES notation for 5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole?
The canonical SMILES for 5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole is CC(C)(C)Cc1ncc(Br)[nH]1.
What is the InChIKey of 5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole?
The InChIKey is YPCUAIUKZAHPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2/c1-8(2,3)4-7-10-5-6(9)11-7/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole?
5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole has a molecular weight of 217.11 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole is sourced from PubChem (CID 117259218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).