2-chloro-1-[(2R)-oxan-2-yl]imidazole

C8H11ClN2O — CID 93478424

IUPAC2-chloro-1-[(2R)-oxan-2-yl]imidazole
SMILESClc1nccn1[C@H]1CCCCO1
InChIInChI=1S/C8H11ClN2O/c9-8-10-4-5-11(8)7-3-1-2-6-12-7/h4-5,7H,1-3,6H2/t7-/m1/s1
InChIKeyCPSFPHUOZKDFTK-SSDOTTSWSA-N
MW186.64 g/mol
LogP2.24
Rot. Bonds1

About 2-chloro-1-[(2R)-oxan-2-yl]imidazole

2-chloro-1-[(2R)-oxan-2-yl]imidazole (PubChem CID 93478424) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-1-[(2R)-oxan-2-yl]imidazole.

Molecular Properties

Compound Name2-chloro-1-[(2R)-oxan-2-yl]imidazole
PubChem CID93478424
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-1-[(2R)-oxan-2-yl]imidazole
SMILESClc1nccn1[C@H]1CCCCO1
InChIInChI=1S/C8H11ClN2O/c9-8-10-4-5-11(8)7-3-1-2-6-12-7/h4-5,7H,1-3,6H2/t7-/m1/s1
InChIKeyCPSFPHUOZKDFTK-SSDOTTSWSA-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 2-chloro-1-[(2R)-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

Related Compounds

1H-Imidazole-1-pentanol
CID 12803320
2-chloro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
CID 45588156
2-bromo-1-(oxan-2-yl)-1H-imidazole
CID 45588153
2-(2-Methoxyethyl)ethyl-1h-imidazole
CID 22409056
1-(Tetrahydro-2H-pyran-2-yl)-1H-imidazole
CID 58743621
2-Chloro-5-methyl-1-(oxan-2-yl)imidazole
CID 83678618
2-Chloro-1-(tetrahydro-2H-pyran-2-YL)-1H-imidazole
CID 45588152
[6-(2-Chloro-4-methoxy)-hexyl] imidazole
CID 129704060
[2-Chloro-3-(oxan-2-yl)imidazol-4-yl]-trifluoroboranuide
CID 165983262
Trifluoro-[3-(oxan-2-yl)imidazol-4-yl]boranuide
CID 165994710
1-[2-Fluoro-2-(oxan-4-yl)ethyl]-2-(trifluoromethyl)imidazole
CID 167801524
1-(Oxolan-2-yl)imidazole
CID 12502123

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2R)-oxan-2-yl]imidazole?
The IUPAC name of 2-chloro-1-[(2R)-oxan-2-yl]imidazole (CID 93478424) is 2-chloro-1-[(2R)-oxan-2-yl]imidazole.
What is the SMILES notation for 2-chloro-1-[(2R)-oxan-2-yl]imidazole?
The canonical SMILES for 2-chloro-1-[(2R)-oxan-2-yl]imidazole is Clc1nccn1[C@H]1CCCCO1.
What is the InChIKey of 2-chloro-1-[(2R)-oxan-2-yl]imidazole?
The InChIKey is CPSFPHUOZKDFTK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-8-10-4-5-11(8)7-3-1-2-6-12-7/h4-5,7H,1-3,6H2/t7-/m1/s1.
What are the key properties of 2-chloro-1-[(2R)-oxan-2-yl]imidazole?
2-chloro-1-[(2R)-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 2-chloro-1-[(2R)-oxan-2-yl]imidazole is sourced from PubChem (CID 93478424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).