1-(4-bromophenyl)-4-methylimidazole

C10H9BrN2 — CID 53415672

IUPAC1-(4-bromophenyl)-4-methylimidazole
SMILESCc1cn(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C10H9BrN2/c1-8-6-13(7-12-8)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKeyRHUGYTKASKANII-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.94
Rot. Bonds1

About 1-(4-bromophenyl)-4-methylimidazole

1-(4-bromophenyl)-4-methylimidazole (PubChem CID 53415672) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-methylimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-methylimidazole
PubChem CID53415672
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name1-(4-bromophenyl)-4-methylimidazole
SMILESCc1cn(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C10H9BrN2/c1-8-6-13(7-12-8)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKeyRHUGYTKASKANII-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-methylimidazole?
The IUPAC name of 1-(4-bromophenyl)-4-methylimidazole (CID 53415672) is 1-(4-bromophenyl)-4-methylimidazole.
What is the SMILES notation for 1-(4-bromophenyl)-4-methylimidazole?
The canonical SMILES for 1-(4-bromophenyl)-4-methylimidazole is Cc1cn(-c2ccc(Br)cc2)cn1.
What is the InChIKey of 1-(4-bromophenyl)-4-methylimidazole?
The InChIKey is RHUGYTKASKANII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-8-6-13(7-12-8)10-4-2-9(11)3-5-10/h2-7H,1H3.
What are the key properties of 1-(4-bromophenyl)-4-methylimidazole?
1-(4-bromophenyl)-4-methylimidazole has a molecular weight of 237.10 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-methylimidazole is sourced from PubChem (CID 53415672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).