2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole

C16H13BrN2O — CID 146672083

IUPAC2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole
SMILESBrc1ccc(-c2ncc[nH]2)c(OCc2ccccc2)c1
InChIInChI=1S/C16H13BrN2O/c17-13-6-7-14(16-18-8-9-19-16)15(10-13)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)
InChIKeyFRFALDAXOFLQIJ-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.42
Rot. Bonds4

About 2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole

2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole (PubChem CID 146672083) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole
PubChem CID146672083
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole
SMILESBrc1ccc(-c2ncc[nH]2)c(OCc2ccccc2)c1
InChIInChI=1S/C16H13BrN2O/c17-13-6-7-14(16-18-8-9-19-16)15(10-13)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)
InChIKeyFRFALDAXOFLQIJ-UHFFFAOYSA-N
XLogP4.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole
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2-(1H-imidazol-2-yl)-N-methyl-3-phenylmethoxyaniline
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4-bromo-1-tert-butyl-2-phenylmethoxybenzene
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2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole
CID 70637450
1-(4-bromo-2-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazine
CID 70239064
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917
5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
4-bromo-1-methylsulfonyl-2-phenylmethoxybenzene
CID 75487824
4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid
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4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole (CID 146672083) is 2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole is Brc1ccc(-c2ncc[nH]2)c(OCc2ccccc2)c1.
What is the InChIKey of 2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole?
The InChIKey is FRFALDAXOFLQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-13-6-7-14(16-18-8-9-19-16)15(10-13)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19).
What are the key properties of 2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole?
2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole has a molecular weight of 329.20 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole is sourced from PubChem (CID 146672083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).