1-[(4-bromophenyl)methyl]-5-phenylimidazole

C16H13BrN2 — CID 45103810

IUPAC1-[(4-bromophenyl)methyl]-5-phenylimidazole
SMILESBrc1ccc(Cn2cncc2-c2ccccc2)cc1
InChIInChI=1S/C16H13BrN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKeyLHMVBZUXJAMAAP-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.36
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-5-phenylimidazole

1-[(4-bromophenyl)methyl]-5-phenylimidazole (PubChem CID 45103810) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-5-phenylimidazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-5-phenylimidazole
PubChem CID45103810
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name1-[(4-bromophenyl)methyl]-5-phenylimidazole
SMILESBrc1ccc(Cn2cncc2-c2ccccc2)cc1
InChIInChI=1S/C16H13BrN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKeyLHMVBZUXJAMAAP-UHFFFAOYSA-N
XLogP4.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-5-phenylimidazole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-5-phenylimidazole (CID 45103810) is 1-[(4-bromophenyl)methyl]-5-phenylimidazole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-5-phenylimidazole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-5-phenylimidazole is Brc1ccc(Cn2cncc2-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-5-phenylimidazole?
The InChIKey is LHMVBZUXJAMAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-5-phenylimidazole?
1-[(4-bromophenyl)methyl]-5-phenylimidazole has a molecular weight of 313.20 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-5-phenylimidazole is sourced from PubChem (CID 45103810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).