2-(5-chloro-2-methoxyphenyl)-1H-imidazole

C10H9ClN2O — CID 90871642

IUPAC2-(5-chloro-2-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(Cl)cc1-c1ncc[nH]1
InChIInChI=1S/C10H9ClN2O/c1-14-9-3-2-7(11)6-8(9)10-12-4-5-13-10/h2-6H,1H3,(H,12,13)
InChIKeyCCNJAVZKJUTKFG-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.74
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-1H-imidazole

2-(5-chloro-2-methoxyphenyl)-1H-imidazole (PubChem CID 90871642) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1H-imidazole
PubChem CID90871642
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(Cl)cc1-c1ncc[nH]1
InChIInChI=1S/C10H9ClN2O/c1-14-9-3-2-7(11)6-8(9)10-12-4-5-13-10/h2-6H,1H3,(H,12,13)
InChIKeyCCNJAVZKJUTKFG-UHFFFAOYSA-N
XLogP2.74
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1H-imidazole (CID 90871642) is 2-(5-chloro-2-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1H-imidazole is COc1ccc(Cl)cc1-c1ncc[nH]1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1H-imidazole?
The InChIKey is CCNJAVZKJUTKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-14-9-3-2-7(11)6-8(9)10-12-4-5-13-10/h2-6H,1H3,(H,12,13).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1H-imidazole?
2-(5-chloro-2-methoxyphenyl)-1H-imidazole has a molecular weight of 208.65 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 90871642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).