2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole

C16H19ClN2O — CID 56865531

IUPAC2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole
SMILESClc1ccc(-c2nccn2CCC2CCCCO2)cc1
InChIInChI=1S/C16H19ClN2O/c17-14-6-4-13(5-7-14)16-18-9-11-19(16)10-8-15-3-1-2-12-20-15/h4-7,9,11,15H,1-3,8,10,12H2
InChIKeyIEUPUVNESXMFAK-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.16
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole

2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole (PubChem CID 56865531) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole
PubChem CID56865531
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole
SMILESClc1ccc(-c2nccn2CCC2CCCCO2)cc1
InChIInChI=1S/C16H19ClN2O/c17-14-6-4-13(5-7-14)16-18-9-11-19(16)10-8-15-3-1-2-12-20-15/h4-7,9,11,15H,1-3,8,10,12H2
InChIKeyIEUPUVNESXMFAK-UHFFFAOYSA-N
XLogP4.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole (CID 56865531) is 2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole is Clc1ccc(-c2nccn2CCC2CCCCO2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole?
The InChIKey is IEUPUVNESXMFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-14-6-4-13(5-7-14)16-18-9-11-19(16)10-8-15-3-1-2-12-20-15/h4-7,9,11,15H,1-3,8,10,12H2.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole?
2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole has a molecular weight of 290.79 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole is sourced from PubChem (CID 56865531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).