2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole

C17H14Br2N2O — CID 70637450

IUPAC2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole
SMILESBrc1ccc(COc2ccc(Br)cc2Cc2ncc[nH]2)cc1
InChIInChI=1S/C17H14Br2N2O/c18-14-3-1-12(2-4-14)11-22-16-6-5-15(19)9-13(16)10-17-20-7-8-21-17/h1-9H,10-11H2,(H,20,21)
InChIKeyZWPFCENKADINML-UHFFFAOYSA-N
MW422.12 g/mol
LogP5.10
Rot. Bonds5

About 2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole

2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole (PubChem CID 70637450) has the molecular formula C17H14Br2N2O and a molecular weight of 422.12 g/mol. Its IUPAC name is 2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole
PubChem CID70637450
Molecular FormulaC17H14Br2N2O
Molecular Weight422.12 g/mol
Exact Mass419.95
IUPAC Name2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole
SMILESBrc1ccc(COc2ccc(Br)cc2Cc2ncc[nH]2)cc1
InChIInChI=1S/C17H14Br2N2O/c18-14-3-1-12(2-4-14)11-22-16-6-5-15(19)9-13(16)10-17-20-7-8-21-17/h1-9H,10-11H2,(H,20,21)
InChIKeyZWPFCENKADINML-UHFFFAOYSA-N
XLogP5.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.12
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(1H-imidazol-2-ylmethyl)phenoxy]methyl]benzonitrile
CID 70478494
3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866339
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
1-(5-bromo-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63820703
2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole
CID 146672083
2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786259
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
N-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63057171

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole?
The IUPAC name of 2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole (CID 70637450) is 2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole is Brc1ccc(COc2ccc(Br)cc2Cc2ncc[nH]2)cc1.
What is the InChIKey of 2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole?
The InChIKey is ZWPFCENKADINML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2N2O/c18-14-3-1-12(2-4-14)11-22-16-6-5-15(19)9-13(16)10-17-20-7-8-21-17/h1-9H,10-11H2,(H,20,21).
What are the key properties of 2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole?
2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole has a molecular weight of 422.12 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole is sourced from PubChem (CID 70637450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).