5-bromo-2-(4-methylphenyl)-1H-imidazole

C10H9BrN2 — CID 117259266

IUPAC5-bromo-2-(4-methylphenyl)-1H-imidazole
SMILESCc1ccc(-c2ncc(Br)[nH]2)cc1
InChIInChI=1S/C10H9BrN2/c1-7-2-4-8(5-3-7)10-12-6-9(11)13-10/h2-6H,1H3,(H,12,13)
InChIKeySMASVPRVSCRHOO-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.15
Rot. Bonds1

About 5-bromo-2-(4-methylphenyl)-1H-imidazole

5-bromo-2-(4-methylphenyl)-1H-imidazole (PubChem CID 117259266) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 5-bromo-2-(4-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-(4-methylphenyl)-1H-imidazole
PubChem CID117259266
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name5-bromo-2-(4-methylphenyl)-1H-imidazole
SMILESCc1ccc(-c2ncc(Br)[nH]2)cc1
InChIInChI=1S/C10H9BrN2/c1-7-2-4-8(5-3-7)10-12-6-9(11)13-10/h2-6H,1H3,(H,12,13)
InChIKeySMASVPRVSCRHOO-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylphenyl)-1H-imidazole?
The IUPAC name of 5-bromo-2-(4-methylphenyl)-1H-imidazole (CID 117259266) is 5-bromo-2-(4-methylphenyl)-1H-imidazole.
What is the SMILES notation for 5-bromo-2-(4-methylphenyl)-1H-imidazole?
The canonical SMILES for 5-bromo-2-(4-methylphenyl)-1H-imidazole is Cc1ccc(-c2ncc(Br)[nH]2)cc1.
What is the InChIKey of 5-bromo-2-(4-methylphenyl)-1H-imidazole?
The InChIKey is SMASVPRVSCRHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-7-2-4-8(5-3-7)10-12-6-9(11)13-10/h2-6H,1H3,(H,12,13).
What are the key properties of 5-bromo-2-(4-methylphenyl)-1H-imidazole?
5-bromo-2-(4-methylphenyl)-1H-imidazole has a molecular weight of 237.10 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylphenyl)-1H-imidazole is sourced from PubChem (CID 117259266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).