2-bromo-5-(3-methylphenyl)-1H-imidazole

C10H9BrN2 — CID 105498727

IUPAC2-bromo-5-(3-methylphenyl)-1H-imidazole
SMILESCc1cccc(-c2cnc(Br)[nH]2)c1
InChIInChI=1S/C10H9BrN2/c1-7-3-2-4-8(5-7)9-6-12-10(11)13-9/h2-6H,1H3,(H,12,13)
InChIKeyWCEXADZYQNTSER-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.15
Rot. Bonds1

About 2-bromo-5-(3-methylphenyl)-1H-imidazole

2-bromo-5-(3-methylphenyl)-1H-imidazole (PubChem CID 105498727) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 2-bromo-5-(3-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-bromo-5-(3-methylphenyl)-1H-imidazole
PubChem CID105498727
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name2-bromo-5-(3-methylphenyl)-1H-imidazole
SMILESCc1cccc(-c2cnc(Br)[nH]2)c1
InChIInChI=1S/C10H9BrN2/c1-7-3-2-4-8(5-7)9-6-12-10(11)13-9/h2-6H,1H3,(H,12,13)
InChIKeyWCEXADZYQNTSER-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 2-bromo-5-(3-methylphenyl)-1H-imidazole?
The IUPAC name of 2-bromo-5-(3-methylphenyl)-1H-imidazole (CID 105498727) is 2-bromo-5-(3-methylphenyl)-1H-imidazole.
What is the SMILES notation for 2-bromo-5-(3-methylphenyl)-1H-imidazole?
The canonical SMILES for 2-bromo-5-(3-methylphenyl)-1H-imidazole is Cc1cccc(-c2cnc(Br)[nH]2)c1.
What is the InChIKey of 2-bromo-5-(3-methylphenyl)-1H-imidazole?
The InChIKey is WCEXADZYQNTSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-7-3-2-4-8(5-7)9-6-12-10(11)13-9/h2-6H,1H3,(H,12,13).
What are the key properties of 2-bromo-5-(3-methylphenyl)-1H-imidazole?
2-bromo-5-(3-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 2-bromo-5-(3-methylphenyl)-1H-imidazole is sourced from PubChem (CID 105498727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).