2-bromo-1-propylimidazole

C6H9BrN2 — CID 82125461

IUPAC2-bromo-1-propylimidazole
SMILESCCCn1ccnc1Br
InChIInChI=1S/C6H9BrN2/c1-2-4-9-5-3-8-6(9)7/h3,5H,2,4H2,1H3
InChIKeySEERFMXDSMKPHC-UHFFFAOYSA-N
MW189.06 g/mol
LogP2.06
Rot. Bonds2

About 2-bromo-1-propylimidazole

2-bromo-1-propylimidazole (PubChem CID 82125461) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 2-bromo-1-propylimidazole.

Molecular Properties

Compound Name2-bromo-1-propylimidazole
PubChem CID82125461
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name2-bromo-1-propylimidazole
SMILESCCCn1ccnc1Br
InChIInChI=1S/C6H9BrN2/c1-2-4-9-5-3-8-6(9)7/h3,5H,2,4H2,1H3
InChIKeySEERFMXDSMKPHC-UHFFFAOYSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-propylimidazole?
The IUPAC name of 2-bromo-1-propylimidazole (CID 82125461) is 2-bromo-1-propylimidazole.
What is the SMILES notation for 2-bromo-1-propylimidazole?
The canonical SMILES for 2-bromo-1-propylimidazole is CCCn1ccnc1Br.
What is the InChIKey of 2-bromo-1-propylimidazole?
The InChIKey is SEERFMXDSMKPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-2-4-9-5-3-8-6(9)7/h3,5H,2,4H2,1H3.
What are the key properties of 2-bromo-1-propylimidazole?
2-bromo-1-propylimidazole has a molecular weight of 189.06 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-propylimidazole is sourced from PubChem (CID 82125461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).