tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate

C10H15BrN2O2 — CID 130115493

IUPACtert-butyl 4-bromo-2-ethylimidazole-1-carboxylate
SMILESCCc1nc(Br)cn1C(=O)OC(C)(C)C
InChIInChI=1S/C10H15BrN2O2/c1-5-8-12-7(11)6-13(8)9(14)15-10(2,3)4/h6H,5H2,1-4H3
InChIKeyHRVJTEBNDIUOQN-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.99
Rot. Bonds1

About tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate

tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate (PubChem CID 130115493) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-bromo-2-ethylimidazole-1-carboxylate
PubChem CID130115493
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Nametert-butyl 4-bromo-2-ethylimidazole-1-carboxylate
SMILESCCc1nc(Br)cn1C(=O)OC(C)(C)C
InChIInChI=1S/C10H15BrN2O2/c1-5-8-12-7(11)6-13(8)9(14)15-10(2,3)4/h6H,5H2,1-4H3
InChIKeyHRVJTEBNDIUOQN-UHFFFAOYSA-N
XLogP2.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 153399786
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tert-butyl 2-bromo-4-methylpyrrole-1-carboxylate
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tert-butyl 5-bromoindole-1-carboxylate
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tert-butyl 4-iodo-2-methylimidazole-1-carboxylate
CID 178024038
tert-butyl 2-ethyl-4-(1-hydroxyethyl)-5-methylimidazole-1-carboxylate
CID 58592754
tert-butyl 2,3-dipropylpyrrole-1-carboxylate
CID 71425473
tert-butyl 6-bromo-5-chloroindole-1-carboxylate
CID 58508986
tert-butyl 3-bromo-6-chloropyrrolo[2,3-b]pyridine-1-carboxylate
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CID 86689827

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate (CID 130115493) is tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate is CCc1nc(Br)cn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate?
The InChIKey is HRVJTEBNDIUOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-5-8-12-7(11)6-13(8)9(14)15-10(2,3)4/h6H,5H2,1-4H3.
What are the key properties of tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate?
tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate has a molecular weight of 275.15 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-bromo-2-ethylimidazole-1-carboxylate is sourced from PubChem (CID 130115493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).