2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole

C16H13ClN2O — CID 110539317

IUPAC2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole
SMILESClc1ccc(COc2cccc(-c3ncc[nH]3)c2)cc1
InChIInChI=1S/C16H13ClN2O/c17-14-6-4-12(5-7-14)11-20-15-3-1-2-13(10-15)16-18-8-9-19-16/h1-10H,11H2,(H,18,19)
InChIKeyYWTBVQZPHQEQEB-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.31
Rot. Bonds4

About 2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole

2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole (PubChem CID 110539317) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole
PubChem CID110539317
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole
SMILESClc1ccc(COc2cccc(-c3ncc[nH]3)c2)cc1
InChIInChI=1S/C16H13ClN2O/c17-14-6-4-12(5-7-14)11-20-15-3-1-2-13(10-15)16-18-8-9-19-16/h1-10H,11H2,(H,18,19)
InChIKeyYWTBVQZPHQEQEB-UHFFFAOYSA-N
XLogP4.31
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole?
The IUPAC name of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole (CID 110539317) is 2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole is Clc1ccc(COc2cccc(-c3ncc[nH]3)c2)cc1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole?
The InChIKey is YWTBVQZPHQEQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-14-6-4-12(5-7-14)11-20-15-3-1-2-13(10-15)16-18-8-9-19-16/h1-10H,11H2,(H,18,19).
What are the key properties of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole?
2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole has a molecular weight of 284.75 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole is sourced from PubChem (CID 110539317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).