2-(4-bromophenyl)-1-methylimidazole

C10H9BrN2 — CID 10657491

IUPAC2-(4-bromophenyl)-1-methylimidazole
SMILESCn1ccnc1-c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2/c1-13-7-6-12-10(13)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKeyCUFBERNCIVESMY-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.85
Rot. Bonds1

About 2-(4-bromophenyl)-1-methylimidazole

2-(4-bromophenyl)-1-methylimidazole (PubChem CID 10657491) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-methylimidazole
PubChem CID10657491
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name2-(4-bromophenyl)-1-methylimidazole
SMILESCn1ccnc1-c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2/c1-13-7-6-12-10(13)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKeyCUFBERNCIVESMY-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-methylimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-methylimidazole (CID 10657491) is 2-(4-bromophenyl)-1-methylimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-methylimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-methylimidazole is Cn1ccnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-methylimidazole?
The InChIKey is CUFBERNCIVESMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-13-7-6-12-10(13)8-2-4-9(11)5-3-8/h2-7H,1H3.
What are the key properties of 2-(4-bromophenyl)-1-methylimidazole?
2-(4-bromophenyl)-1-methylimidazole has a molecular weight of 237.10 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-methylimidazole is sourced from PubChem (CID 10657491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).