1-[2-(4-bromophenyl)ethyl]imidazole

C11H11BrN2 — CID 19371551

IUPAC1-[2-(4-bromophenyl)ethyl]imidazole
SMILESBrc1ccc(CCn2ccnc2)cc1
InChIInChI=1S/C11H11BrN2/c12-11-3-1-10(2-4-11)5-7-14-8-6-13-9-14/h1-4,6,8-9H,5,7H2
InChIKeyPAYXPBIBNFYADE-UHFFFAOYSA-N
MW251.13 g/mol
LogP2.89
Rot. Bonds3

About 1-[2-(4-bromophenyl)ethyl]imidazole

1-[2-(4-bromophenyl)ethyl]imidazole (PubChem CID 19371551) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]imidazole
PubChem CID19371551
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name1-[2-(4-bromophenyl)ethyl]imidazole
SMILESBrc1ccc(CCn2ccnc2)cc1
InChIInChI=1S/C11H11BrN2/c12-11-3-1-10(2-4-11)5-7-14-8-6-13-9-14/h1-4,6,8-9H,5,7H2
InChIKeyPAYXPBIBNFYADE-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]imidazole?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]imidazole (CID 19371551) is 1-[2-(4-bromophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]imidazole?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]imidazole is Brc1ccc(CCn2ccnc2)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]imidazole?
The InChIKey is PAYXPBIBNFYADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c12-11-3-1-10(2-4-11)5-7-14-8-6-13-9-14/h1-4,6,8-9H,5,7H2.
What are the key properties of 1-[2-(4-bromophenyl)ethyl]imidazole?
1-[2-(4-bromophenyl)ethyl]imidazole has a molecular weight of 251.13 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]imidazole is sourced from PubChem (CID 19371551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).