2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole

C14H13BrN4O — CID 58947204

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole
SMILESCOc1ccc(-c2nccn2-c2nccn2C)cc1Br
InChIInChI=1S/C14H13BrN4O/c1-18-7-5-17-14(18)19-8-6-16-13(19)10-3-4-12(20-2)11(15)9-10/h3-9H,1-2H3
InChIKeyBGADJIPZWUFBQW-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.04
Rot. Bonds3

About 2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole

2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole (PubChem CID 58947204) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole
PubChem CID58947204
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole
SMILESCOc1ccc(-c2nccn2-c2nccn2C)cc1Br
InChIInChI=1S/C14H13BrN4O/c1-18-7-5-17-14(18)19-8-6-16-13(19)10-3-4-12(20-2)11(15)9-10/h3-9H,1-2H3
InChIKeyBGADJIPZWUFBQW-UHFFFAOYSA-N
XLogP3.04
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-4-methoxybenzene-6-id-1-yl)-1-(1-methylimidazol-2-yl)imidazole;iridium
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2-(2,5-dimethoxyphenyl)-1-methylimidazole
CID 82079235
6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine
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2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
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3-(3-bromo-4-methoxyphenyl)-4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole (CID 58947204) is 2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole is COc1ccc(-c2nccn2-c2nccn2C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole?
The InChIKey is BGADJIPZWUFBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-18-7-5-17-14(18)19-8-6-16-13(19)10-3-4-12(20-2)11(15)9-10/h3-9H,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole?
2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole has a molecular weight of 333.19 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole is sourced from PubChem (CID 58947204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).