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

C17H15ClN2O — CID 12903380

IUPAC1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole
SMILESClc1ccc(COc2cccc(Cn3ccnc3)c2)cc1
InChIInChI=1S/C17H15ClN2O/c18-16-6-4-14(5-7-16)12-21-17-3-1-2-15(10-17)11-20-9-8-19-13-20/h1-10,13H,11-12H2
InChIKeyPNHKKCQOSSAOIK-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.16
Rot. Bonds5

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

1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole (PubChem CID 12903380) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole
PubChem CID12903380
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole
SMILESClc1ccc(COc2cccc(Cn3ccnc3)c2)cc1
InChIInChI=1S/C17H15ClN2O/c18-16-6-4-14(5-7-16)12-21-17-3-1-2-15(10-17)11-20-9-8-19-13-20/h1-10,13H,11-12H2
InChIKeyPNHKKCQOSSAOIK-UHFFFAOYSA-N
XLogP4.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole?
The IUPAC name of 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole (CID 12903380) is 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole?
The canonical SMILES for 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole is Clc1ccc(COc2cccc(Cn3ccnc3)c2)cc1.
What is the InChIKey of 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole?
The InChIKey is PNHKKCQOSSAOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-16-6-4-14(5-7-16)12-21-17-3-1-2-15(10-17)11-20-9-8-19-13-20/h1-10,13H,11-12H2.
What are the key properties of 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole?
1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole has a molecular weight of 298.77 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]imidazole is sourced from PubChem (CID 12903380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).