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

C16H13ClN2O — CID 166632886

IUPAC2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole
SMILESClc1cccc(COc2cccc(-c3ncc[nH]3)c2)c1
InChIInChI=1S/C16H13ClN2O/c17-14-5-1-3-12(9-14)11-20-15-6-2-4-13(10-15)16-18-7-8-19-16/h1-10H,11H2,(H,18,19)
InChIKeyJFXUKYNGAQYIDH-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.31
Rot. Bonds4

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

2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole (PubChem CID 166632886) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole
PubChem CID166632886
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole
SMILESClc1cccc(COc2cccc(-c3ncc[nH]3)c2)c1
InChIInChI=1S/C16H13ClN2O/c17-14-5-1-3-12(9-14)11-20-15-6-2-4-13(10-15)16-18-7-8-19-16/h1-10H,11H2,(H,18,19)
InChIKeyJFXUKYNGAQYIDH-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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Related Compounds

2-[3-[(4-chlorophenyl)methoxy]phenyl]-1H-imidazole
CID 110539317
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
4-[(3-chlorophenyl)methoxy]-3-(1H-imidazol-2-yl)benzoic acid
CID 138543159
potassium [3-[(3-chlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63675843
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249999
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
5-[(3-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104574
1-[4-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125148
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole?
The IUPAC name of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole (CID 166632886) is 2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole is Clc1cccc(COc2cccc(-c3ncc[nH]3)c2)c1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole?
The InChIKey is JFXUKYNGAQYIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-14-5-1-3-12(9-14)11-20-15-6-2-4-13(10-15)16-18-7-8-19-16/h1-10H,11H2,(H,18,19).
What are the key properties of 2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole?
2-[3-[(3-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-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole is sourced from PubChem (CID 166632886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).