1-benzyl-3-ethenyl-2H-imidazole;hydrobromide

C12H15BrN2 — CID 175370987

IUPAC1-benzyl-3-ethenyl-2H-imidazole;hydrobromide
SMILESBr.C=CN1C=CN(Cc2ccccc2)C1
InChIInChI=1S/C12H14N2.BrH/c1-2-13-8-9-14(11-13)10-12-6-4-3-5-7-12;/h2-9H,1,10-11H2;1H
InChIKeyMFWYCCDCCKJJBY-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.95
Rot. Bonds3

About 1-benzyl-3-ethenyl-2H-imidazole;hydrobromide

1-benzyl-3-ethenyl-2H-imidazole;hydrobromide (PubChem CID 175370987) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-benzyl-3-ethenyl-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-benzyl-3-ethenyl-2H-imidazole;hydrobromide
PubChem CID175370987
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-benzyl-3-ethenyl-2H-imidazole;hydrobromide
SMILESBr.C=CN1C=CN(Cc2ccccc2)C1
InChIInChI=1S/C12H14N2.BrH/c1-2-13-8-9-14(11-13)10-12-6-4-3-5-7-12;/h2-9H,1,10-11H2;1H
InChIKeyMFWYCCDCCKJJBY-UHFFFAOYSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethenyl-2H-imidazole;hydrobromide?
The IUPAC name of 1-benzyl-3-ethenyl-2H-imidazole;hydrobromide (CID 175370987) is 1-benzyl-3-ethenyl-2H-imidazole;hydrobromide.
What is the SMILES notation for 1-benzyl-3-ethenyl-2H-imidazole;hydrobromide?
The canonical SMILES for 1-benzyl-3-ethenyl-2H-imidazole;hydrobromide is Br.C=CN1C=CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-ethenyl-2H-imidazole;hydrobromide?
The InChIKey is MFWYCCDCCKJJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.BrH/c1-2-13-8-9-14(11-13)10-12-6-4-3-5-7-12;/h2-9H,1,10-11H2;1H.
What are the key properties of 1-benzyl-3-ethenyl-2H-imidazole;hydrobromide?
1-benzyl-3-ethenyl-2H-imidazole;hydrobromide has a molecular weight of 267.17 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethenyl-2H-imidazole;hydrobromide is sourced from PubChem (CID 175370987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).