2-chloro-5-methyl-1-(oxan-2-yl)imidazole

C9H13ClN2O — CID 83678618

IUPAC2-chloro-5-methyl-1-(oxan-2-yl)imidazole
SMILESCc1cnc(Cl)n1C1CCCCO1
InChIInChI=1S/C9H13ClN2O/c1-7-6-11-9(10)12(7)8-4-2-3-5-13-8/h6,8H,2-5H2,1H3
InChIKeyUAUYQMBPYUCKIY-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.54
Rot. Bonds1

About 2-chloro-5-methyl-1-(oxan-2-yl)imidazole

2-chloro-5-methyl-1-(oxan-2-yl)imidazole (PubChem CID 83678618) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-chloro-5-methyl-1-(oxan-2-yl)imidazole.

Molecular Properties

Compound Name2-chloro-5-methyl-1-(oxan-2-yl)imidazole
PubChem CID83678618
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-chloro-5-methyl-1-(oxan-2-yl)imidazole
SMILESCc1cnc(Cl)n1C1CCCCO1
InChIInChI=1S/C9H13ClN2O/c1-7-6-11-9(10)12(7)8-4-2-3-5-13-8/h6,8H,2-5H2,1H3
InChIKeyUAUYQMBPYUCKIY-UHFFFAOYSA-N
XLogP2.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-1-(oxan-2-yl)imidazole?
The IUPAC name of 2-chloro-5-methyl-1-(oxan-2-yl)imidazole (CID 83678618) is 2-chloro-5-methyl-1-(oxan-2-yl)imidazole.
What is the SMILES notation for 2-chloro-5-methyl-1-(oxan-2-yl)imidazole?
The canonical SMILES for 2-chloro-5-methyl-1-(oxan-2-yl)imidazole is Cc1cnc(Cl)n1C1CCCCO1.
What is the InChIKey of 2-chloro-5-methyl-1-(oxan-2-yl)imidazole?
The InChIKey is UAUYQMBPYUCKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-7-6-11-9(10)12(7)8-4-2-3-5-13-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-chloro-5-methyl-1-(oxan-2-yl)imidazole?
2-chloro-5-methyl-1-(oxan-2-yl)imidazole has a molecular weight of 200.67 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-1-(oxan-2-yl)imidazole is sourced from PubChem (CID 83678618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).