2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole

C8H11ClN2O — CID 87111262

IUPAC2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
SMILESClc1nccn1C[C@@H]1CCCO1
InChIInChI=1S/C8H11ClN2O/c9-8-10-3-4-11(8)6-7-2-1-5-12-7/h3-4,7H,1-2,5-6H2/t7-/m0/s1
InChIKeyJUYKRYAHOIXYJK-ZETCQYMHSA-N
MW186.64 g/mol
LogP1.72
Rot. Bonds2

About 2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole

2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole (PubChem CID 87111262) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
PubChem CID87111262
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
SMILESClc1nccn1C[C@@H]1CCCO1
InChIInChI=1S/C8H11ClN2O/c9-8-10-3-4-11(8)6-7-2-1-5-12-7/h3-4,7H,1-2,5-6H2/t7-/m0/s1
InChIKeyJUYKRYAHOIXYJK-ZETCQYMHSA-N
XLogP1.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563869
N-cyclopropyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560113
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155916058
2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole
CID 82562308
N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560081
2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
CID 166090821
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560082
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327
N-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567497
2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid
CID 171322062
2-(4-chlorophenyl)-1-[2-(oxan-2-yl)ethyl]imidazole
CID 56865531

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
The IUPAC name of 2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole (CID 87111262) is 2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
The canonical SMILES for 2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole is Clc1nccn1C[C@@H]1CCCO1.
What is the InChIKey of 2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
The InChIKey is JUYKRYAHOIXYJK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-8-10-3-4-11(8)6-7-2-1-5-12-7/h3-4,7H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of 2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole has a molecular weight of 186.64 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 87111262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).