4-bromo-1-methyl-5-phenylimidazole

C10H9BrN2 — CID 25172551

IUPAC4-bromo-1-methyl-5-phenylimidazole
SMILESCn1cnc(Br)c1-c1ccccc1
InChIInChI=1S/C10H9BrN2/c1-13-7-12-10(11)9(13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyYPXWBCCXILASBT-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.85
Rot. Bonds1

About 4-bromo-1-methyl-5-phenylimidazole

4-bromo-1-methyl-5-phenylimidazole (PubChem CID 25172551) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 4-bromo-1-methyl-5-phenylimidazole.

Molecular Properties

Compound Name4-bromo-1-methyl-5-phenylimidazole
PubChem CID25172551
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name4-bromo-1-methyl-5-phenylimidazole
SMILESCn1cnc(Br)c1-c1ccccc1
InChIInChI=1S/C10H9BrN2/c1-13-7-12-10(11)9(13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyYPXWBCCXILASBT-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 4-bromo-1-methyl-5-phenylimidazole?
The IUPAC name of 4-bromo-1-methyl-5-phenylimidazole (CID 25172551) is 4-bromo-1-methyl-5-phenylimidazole.
What is the SMILES notation for 4-bromo-1-methyl-5-phenylimidazole?
The canonical SMILES for 4-bromo-1-methyl-5-phenylimidazole is Cn1cnc(Br)c1-c1ccccc1.
What is the InChIKey of 4-bromo-1-methyl-5-phenylimidazole?
The InChIKey is YPXWBCCXILASBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-13-7-12-10(11)9(13)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 4-bromo-1-methyl-5-phenylimidazole?
4-bromo-1-methyl-5-phenylimidazole 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 4-bromo-1-methyl-5-phenylimidazole is sourced from PubChem (CID 25172551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).