2-bromo-1-methyl-5-(oxan-4-yl)imidazole

C9H13BrN2O — CID 117259832

IUPAC2-bromo-1-methyl-5-(oxan-4-yl)imidazole
SMILESCn1c(C2CCOCC2)cnc1Br
InChIInChI=1S/C9H13BrN2O/c1-12-8(6-11-9(12)10)7-2-4-13-5-3-7/h6-7H,2-5H2,1H3
InChIKeyCVPOMJDMTNPLAF-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.08
Rot. Bonds1

About 2-bromo-1-methyl-5-(oxan-4-yl)imidazole

2-bromo-1-methyl-5-(oxan-4-yl)imidazole (PubChem CID 117259832) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-bromo-1-methyl-5-(oxan-4-yl)imidazole.

Molecular Properties

Compound Name2-bromo-1-methyl-5-(oxan-4-yl)imidazole
PubChem CID117259832
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-bromo-1-methyl-5-(oxan-4-yl)imidazole
SMILESCn1c(C2CCOCC2)cnc1Br
InChIInChI=1S/C9H13BrN2O/c1-12-8(6-11-9(12)10)7-2-4-13-5-3-7/h6-7H,2-5H2,1H3
InChIKeyCVPOMJDMTNPLAF-UHFFFAOYSA-N
XLogP2.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]pyrimidine
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4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine
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2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine
CID 91911584
4-bromo-5-(oxan-4-yl)-1H-pyrazole
CID 83711956
4-(4-bromofuran-3-yl)oxane
CID 82390774
3-bromo-2-(oxan-4-yl)pyridine
CID 130058346
1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
CID 105460761
6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine
CID 172745522
5-cyclopropyl-1-methyl-2-pyrrolidin-2-ylimidazole
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1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine
CID 116825936

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-5-(oxan-4-yl)imidazole?
The IUPAC name of 2-bromo-1-methyl-5-(oxan-4-yl)imidazole (CID 117259832) is 2-bromo-1-methyl-5-(oxan-4-yl)imidazole.
What is the SMILES notation for 2-bromo-1-methyl-5-(oxan-4-yl)imidazole?
The canonical SMILES for 2-bromo-1-methyl-5-(oxan-4-yl)imidazole is Cn1c(C2CCOCC2)cnc1Br.
What is the InChIKey of 2-bromo-1-methyl-5-(oxan-4-yl)imidazole?
The InChIKey is CVPOMJDMTNPLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-12-8(6-11-9(12)10)7-2-4-13-5-3-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-bromo-1-methyl-5-(oxan-4-yl)imidazole?
2-bromo-1-methyl-5-(oxan-4-yl)imidazole has a molecular weight of 245.12 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-5-(oxan-4-yl)imidazole is sourced from PubChem (CID 117259832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).