5-[(4-bromophenyl)methyl]-1H-imidazole

C10H9BrN2 — CID 24825520

IUPAC5-[(4-bromophenyl)methyl]-1H-imidazole
SMILESBrc1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C10H9BrN2/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5H2,(H,12,13)
InChIKeyWXUFCVQAMIUJMP-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.76
Rot. Bonds2

About 5-[(4-bromophenyl)methyl]-1H-imidazole

5-[(4-bromophenyl)methyl]-1H-imidazole (PubChem CID 24825520) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-1H-imidazole
PubChem CID24825520
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name5-[(4-bromophenyl)methyl]-1H-imidazole
SMILESBrc1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C10H9BrN2/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5H2,(H,12,13)
InChIKeyWXUFCVQAMIUJMP-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-1H-imidazole?
The IUPAC name of 5-[(4-bromophenyl)methyl]-1H-imidazole (CID 24825520) is 5-[(4-bromophenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-1H-imidazole is Brc1ccc(Cc2cnc[nH]2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-1H-imidazole?
The InChIKey is WXUFCVQAMIUJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5H2,(H,12,13).
What are the key properties of 5-[(4-bromophenyl)methyl]-1H-imidazole?
5-[(4-bromophenyl)methyl]-1H-imidazole has a molecular weight of 237.10 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-1H-imidazole is sourced from PubChem (CID 24825520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).