4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole

C17H15BrN2O — CID 174433779

IUPAC4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole
SMILESCOc1ccccc1C1=NC(Cc2ccc(Br)cc2)C=N1
InChIInChI=1S/C17H15BrN2O/c1-21-16-5-3-2-4-15(16)17-19-11-14(20-17)10-12-6-8-13(18)9-7-12/h2-9,11,14H,10H2,1H3
InChIKeyHBGQMYIIRWFLQL-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.90
Rot. Bonds4

About 4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole

4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole (PubChem CID 174433779) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole
PubChem CID174433779
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole
SMILESCOc1ccccc1C1=NC(Cc2ccc(Br)cc2)C=N1
InChIInChI=1S/C17H15BrN2O/c1-21-16-5-3-2-4-15(16)17-19-11-14(20-17)10-12-6-8-13(18)9-7-12/h2-9,11,14H,10H2,1H3
InChIKeyHBGQMYIIRWFLQL-UHFFFAOYSA-N
XLogP3.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole?
The IUPAC name of 4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole (CID 174433779) is 4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole is COc1ccccc1C1=NC(Cc2ccc(Br)cc2)C=N1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole?
The InChIKey is HBGQMYIIRWFLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-21-16-5-3-2-4-15(16)17-19-11-14(20-17)10-12-6-8-13(18)9-7-12/h2-9,11,14H,10H2,1H3.
What are the key properties of 4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole?
4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole has a molecular weight of 343.22 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-2-(2-methoxyphenyl)-4H-imidazole is sourced from PubChem (CID 174433779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).