4-chloro-1-(oxan-2-yl)imidazole

C8H11ClN2O — CID 175285787

IUPAC4-chloro-1-(oxan-2-yl)imidazole
SMILESClc1cn(C2CCCCO2)cn1
InChIInChI=1S/C8H11ClN2O/c9-7-5-11(6-10-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2
InChIKeyLDRBNKPHBBGXST-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.24
Rot. Bonds1

About 4-chloro-1-(oxan-2-yl)imidazole

4-chloro-1-(oxan-2-yl)imidazole (PubChem CID 175285787) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 4-chloro-1-(oxan-2-yl)imidazole.

Molecular Properties

Compound Name4-chloro-1-(oxan-2-yl)imidazole
PubChem CID175285787
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name4-chloro-1-(oxan-2-yl)imidazole
SMILESClc1cn(C2CCCCO2)cn1
InChIInChI=1S/C8H11ClN2O/c9-7-5-11(6-10-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2
InChIKeyLDRBNKPHBBGXST-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-(oxan-2-yl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(oxan-2-yl)imidazole?
The IUPAC name of 4-chloro-1-(oxan-2-yl)imidazole (CID 175285787) is 4-chloro-1-(oxan-2-yl)imidazole.
What is the SMILES notation for 4-chloro-1-(oxan-2-yl)imidazole?
The canonical SMILES for 4-chloro-1-(oxan-2-yl)imidazole is Clc1cn(C2CCCCO2)cn1.
What is the InChIKey of 4-chloro-1-(oxan-2-yl)imidazole?
The InChIKey is LDRBNKPHBBGXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-7-5-11(6-10-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2.
What are the key properties of 4-chloro-1-(oxan-2-yl)imidazole?
4-chloro-1-(oxan-2-yl)imidazole has a molecular weight of 186.64 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(oxan-2-yl)imidazole is sourced from PubChem (CID 175285787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).