2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole

C10H15ClN2O — CID 115028945

IUPAC2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole
SMILESCC(C)c1nc(Cl)[nH]c1C1CCCO1
InChIInChI=1S/C10H15ClN2O/c1-6(2)8-9(13-10(11)12-8)7-4-3-5-14-7/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyXGQBYZIZWIFKEU-UHFFFAOYSA-N
MW214.70 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole

2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole (PubChem CID 115028945) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole
PubChem CID115028945
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole
SMILESCC(C)c1nc(Cl)[nH]c1C1CCCO1
InChIInChI=1S/C10H15ClN2O/c1-6(2)8-9(13-10(11)12-8)7-4-3-5-14-7/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyXGQBYZIZWIFKEU-UHFFFAOYSA-N
XLogP3.04
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(oxolan-2-yl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 115028003
[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434676
5-bromo-2-chloro-6-[(2R)-oxolan-2-yl]-4-[(2S)-oxolan-2-yl]pyrimidine
CID 134854426
(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120893845
(1R)-2-methyl-1-[5-[(2S)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]propan-1-amine
CID 97288537
2-chloro-5-ethyl-4-(oxolan-2-yl)-1,3-oxazole
CID 115022436
N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82463293
2-bromo-5-(oxolan-2-yl)-1H-imidazole
CID 115029847
5-(oxolan-2-yl)-1H-pyrazol-4-amine
CID 130577682
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328670
1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol
CID 65328718

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole?
The IUPAC name of 2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole (CID 115028945) is 2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole is CC(C)c1nc(Cl)[nH]c1C1CCCO1.
What is the InChIKey of 2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole?
The InChIKey is XGQBYZIZWIFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6(2)8-9(13-10(11)12-8)7-4-3-5-14-7/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole?
2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole has a molecular weight of 214.70 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(oxolan-2-yl)-4-propan-2-yl-1H-imidazole is sourced from PubChem (CID 115028945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).