2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid

C11H8Cl2N2O3 — CID 11833029

IUPAC2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid
SMILESO=C(O)c1nc(Cl)n(OCc2ccccc2)c1Cl
InChIInChI=1S/C11H8Cl2N2O3/c12-9-8(10(16)17)14-11(13)15(9)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,16,17)
InChIKeyHULXVEXTSXDWML-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.52
Rot. Bonds4

About 2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid

2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid (PubChem CID 11833029) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid
PubChem CID11833029
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Name2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid
SMILESO=C(O)c1nc(Cl)n(OCc2ccccc2)c1Cl
InChIInChI=1S/C11H8Cl2N2O3/c12-9-8(10(16)17)14-11(13)15(9)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,16,17)
InChIKeyHULXVEXTSXDWML-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol
CID 10999557
3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988
1-benzyl-5-chloroimidazole-4-carboxylic acid
CID 68558649
2-chloro-4-methyl-1-phenylmethoxyimidazole
CID 10867903
ethane;6-phenylmethoxypyridine-2,3-dicarboxylic acid
CID 91075341
1-chloro-4-hydroxy-7-phenylmethoxyisoquinoline-3-carboxylic acid
CID 18698130
3,5-dimethyl-1-phenylmethoxypyrazole-4-carboxylic acid;ethane
CID 143284338
4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane
CID 145157389
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile
CID 91623201
benzyl carbonochloridate
CID 10387
argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride
CID 87854303

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid?
The IUPAC name of 2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid (CID 11833029) is 2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid.
What is the SMILES notation for 2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid?
The canonical SMILES for 2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid is O=C(O)c1nc(Cl)n(OCc2ccccc2)c1Cl.
What is the InChIKey of 2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid?
The InChIKey is HULXVEXTSXDWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c12-9-8(10(16)17)14-11(13)15(9)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,16,17).
What are the key properties of 2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid?
2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid has a molecular weight of 287.10 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-phenylmethoxyimidazole-4-carboxylic acid is sourced from PubChem (CID 11833029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).