5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole

C17H15BrN2O — CID 174408682

IUPAC5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole
SMILESCCOc1ccc(-c2ncc(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C17H15BrN2O/c1-2-21-15-9-5-13(6-10-15)17-19-11-16(20-17)12-3-7-14(18)8-4-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyRQKWKRKNKAWILW-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.90
Rot. Bonds4

About 5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole

5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole (PubChem CID 174408682) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole
PubChem CID174408682
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole
SMILESCCOc1ccc(-c2ncc(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C17H15BrN2O/c1-2-21-15-9-5-13(6-10-15)17-19-11-16(20-17)12-3-7-14(18)8-4-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyRQKWKRKNKAWILW-UHFFFAOYSA-N
XLogP4.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine
CID 50980448
5-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733698
5-(4-bromophenyl)-2-phenyl-1H-imidazole
CID 12858161
3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol
CID 50980518
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190
2-(4-bromophenyl)-5-(4-heptoxyphenyl)-1H-imidazole;[2-(4-heptoxyphenyl)-2-oxoethyl] 4-bromobenzoate
CID 159742935
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
3-[5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol
CID 50964072
1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82463571
5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole
CID 102431861
5-bromo-2-(4-ethoxyphenyl)pyridine
CID 83920618

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole?
The IUPAC name of 5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole (CID 174408682) is 5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole?
The canonical SMILES for 5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole is CCOc1ccc(-c2ncc(-c3ccc(Br)cc3)[nH]2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole?
The InChIKey is RQKWKRKNKAWILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-2-21-15-9-5-13(6-10-15)17-19-11-16(20-17)12-3-7-14(18)8-4-12/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of 5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole?
5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole has a molecular weight of 343.22 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole is sourced from PubChem (CID 174408682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).