5-bromo-1-propan-2-yl-2-propylimidazole

C9H15BrN2 — CID 117259416

IUPAC5-bromo-1-propan-2-yl-2-propylimidazole
SMILESCCCc1ncc(Br)n1C(C)C
InChIInChI=1S/C9H15BrN2/c1-4-5-9-11-6-8(10)12(9)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyDDUUOYAHZDPJBA-UHFFFAOYSA-N
MW231.14 g/mol
LogP3.18
Rot. Bonds3

About 5-bromo-1-propan-2-yl-2-propylimidazole

5-bromo-1-propan-2-yl-2-propylimidazole (PubChem CID 117259416) has the molecular formula C9H15BrN2 and a molecular weight of 231.14 g/mol. Its IUPAC name is 5-bromo-1-propan-2-yl-2-propylimidazole.

Molecular Properties

Compound Name5-bromo-1-propan-2-yl-2-propylimidazole
PubChem CID117259416
Molecular FormulaC9H15BrN2
Molecular Weight231.14 g/mol
Exact Mass230.04
IUPAC Name5-bromo-1-propan-2-yl-2-propylimidazole
SMILESCCCc1ncc(Br)n1C(C)C
InChIInChI=1S/C9H15BrN2/c1-4-5-9-11-6-8(10)12(9)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyDDUUOYAHZDPJBA-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-1-propan-2-ylimidazol-2-yl)methanethiol
CID 117188805
5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 117188687
5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188587
5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole
CID 117190849
1-(5-bromo-1-propan-2-ylimidazol-2-yl)piperidine
CID 117190594
5-bromo-4-propan-2-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 87601151
5-(chloromethyl)-1-propan-2-yloxy-2-propylimidazole
CID 174383518
5-bromo-N-ethyl-1-methylimidazol-2-amine
CID 117190521
2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole
CID 117188566
(2-bromo-3-propan-2-ylimidazol-4-yl)methanamine
CID 117192918
5-butyl-3-propan-2-yl-2-propylimidazol-4-amine
CID 62220670
5-cyclopropyl-3-propan-2-yl-2-propylimidazol-4-amine
CID 62218349

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propan-2-yl-2-propylimidazole?
The IUPAC name of 5-bromo-1-propan-2-yl-2-propylimidazole (CID 117259416) is 5-bromo-1-propan-2-yl-2-propylimidazole.
What is the SMILES notation for 5-bromo-1-propan-2-yl-2-propylimidazole?
The canonical SMILES for 5-bromo-1-propan-2-yl-2-propylimidazole is CCCc1ncc(Br)n1C(C)C.
What is the InChIKey of 5-bromo-1-propan-2-yl-2-propylimidazole?
The InChIKey is DDUUOYAHZDPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2/c1-4-5-9-11-6-8(10)12(9)7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-bromo-1-propan-2-yl-2-propylimidazole?
5-bromo-1-propan-2-yl-2-propylimidazole has a molecular weight of 231.14 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propan-2-yl-2-propylimidazole is sourced from PubChem (CID 117259416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).