1-[(4-bromophenyl)methoxy]imidazole

C10H9BrN2O — CID 1491058

IUPAC1-[(4-bromophenyl)methoxy]imidazole
SMILESBrc1ccc(COn2ccnc2)cc1
InChIInChI=1S/C10H9BrN2O/c11-10-3-1-9(2-4-10)7-14-13-6-5-12-8-13/h1-6,8H,7H2
InChIKeyJVQLNCPIOPMEAI-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.27
Rot. Bonds3

About 1-[(4-bromophenyl)methoxy]imidazole

1-[(4-bromophenyl)methoxy]imidazole (PubChem CID 1491058) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methoxy]imidazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methoxy]imidazole
PubChem CID1491058
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name1-[(4-bromophenyl)methoxy]imidazole
SMILESBrc1ccc(COn2ccnc2)cc1
InChIInChI=1S/C10H9BrN2O/c11-10-3-1-9(2-4-10)7-14-13-6-5-12-8-13/h1-6,8H,7H2
InChIKeyJVQLNCPIOPMEAI-UHFFFAOYSA-N
XLogP2.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methoxy]imidazole?
The IUPAC name of 1-[(4-bromophenyl)methoxy]imidazole (CID 1491058) is 1-[(4-bromophenyl)methoxy]imidazole.
What is the SMILES notation for 1-[(4-bromophenyl)methoxy]imidazole?
The canonical SMILES for 1-[(4-bromophenyl)methoxy]imidazole is Brc1ccc(COn2ccnc2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methoxy]imidazole?
The InChIKey is JVQLNCPIOPMEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-10-3-1-9(2-4-10)7-14-13-6-5-12-8-13/h1-6,8H,7H2.
What are the key properties of 1-[(4-bromophenyl)methoxy]imidazole?
1-[(4-bromophenyl)methoxy]imidazole has a molecular weight of 253.10 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methoxy]imidazole is sourced from PubChem (CID 1491058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).