2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole

C17H15BrN2O — CID 82562193

IUPAC2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole
SMILESCOc1ccccc1Cn1ccnc1-c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O/c1-21-16-5-3-2-4-14(16)12-20-11-10-19-17(20)13-6-8-15(18)9-7-13/h2-11H,12H2,1H3
InChIKeyHOMORCNPZBHTAK-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.37
Rot. Bonds4

About 2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole

2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole (PubChem CID 82562193) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole
PubChem CID82562193
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole
SMILESCOc1ccccc1Cn1ccnc1-c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O/c1-21-16-5-3-2-4-14(16)12-20-11-10-19-17(20)13-6-8-15(18)9-7-13/h2-11H,12H2,1H3
InChIKeyHOMORCNPZBHTAK-UHFFFAOYSA-N
XLogP4.37
TPSA27.05 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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole?
The IUPAC name of 2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole (CID 82562193) is 2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole is COc1ccccc1Cn1ccnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole?
The InChIKey is HOMORCNPZBHTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-21-16-5-3-2-4-14(16)12-20-11-10-19-17(20)13-6-8-15(18)9-7-13/h2-11H,12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole?
2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole has a molecular weight of 343.22 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]imidazole is sourced from PubChem (CID 82562193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).