1-bromo-2-(3-methoxyphenyl)imidazole

C10H9BrN2O — CID 175313145

IUPAC1-bromo-2-(3-methoxyphenyl)imidazole
SMILESCOc1cccc(-c2nccn2Br)c1
InChIInChI=1S/C10H9BrN2O/c1-14-9-4-2-3-8(7-9)10-12-5-6-13(10)11/h2-7H,1H3
InChIKeyQFGKRPICFPOQCV-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.72
Rot. Bonds2

About 1-bromo-2-(3-methoxyphenyl)imidazole

1-bromo-2-(3-methoxyphenyl)imidazole (PubChem CID 175313145) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 1-bromo-2-(3-methoxyphenyl)imidazole.

Molecular Properties

Compound Name1-bromo-2-(3-methoxyphenyl)imidazole
PubChem CID175313145
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name1-bromo-2-(3-methoxyphenyl)imidazole
SMILESCOc1cccc(-c2nccn2Br)c1
InChIInChI=1S/C10H9BrN2O/c1-14-9-4-2-3-8(7-9)10-12-5-6-13(10)11/h2-7H,1H3
InChIKeyQFGKRPICFPOQCV-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569
3-bromo-5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 84712036
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
8-methoxy-3-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 163318883

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-methoxyphenyl)imidazole?
The IUPAC name of 1-bromo-2-(3-methoxyphenyl)imidazole (CID 175313145) is 1-bromo-2-(3-methoxyphenyl)imidazole.
What is the SMILES notation for 1-bromo-2-(3-methoxyphenyl)imidazole?
The canonical SMILES for 1-bromo-2-(3-methoxyphenyl)imidazole is COc1cccc(-c2nccn2Br)c1.
What is the InChIKey of 1-bromo-2-(3-methoxyphenyl)imidazole?
The InChIKey is QFGKRPICFPOQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-14-9-4-2-3-8(7-9)10-12-5-6-13(10)11/h2-7H,1H3.
What are the key properties of 1-bromo-2-(3-methoxyphenyl)imidazole?
1-bromo-2-(3-methoxyphenyl)imidazole has a molecular weight of 253.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-methoxyphenyl)imidazole is sourced from PubChem (CID 175313145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).