1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane

C14H24N4O2 — CID 159455593

IUPAC1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane
SMILESC[C@H](O)Cc1nccn1C.C[C@H]1CO1.Cn1ccnc1
InChIInChI=1S/C7H12N2O.C4H6N2.C3H6O/c1-6(10)5-7-8-3-4-9(7)2;1-6-3-2-5-4-6;1-3-2-4-3/h3-4,6,10H,5H2,1-2H3;2-4H,1H3;3H,2H2,1H3/t6-;;3-/m0.0/s1
InChIKeyLTXVPPKXKHHNJE-RMFHETKQSA-N
MW280.37 g/mol
LogP1.17
Rot. Bonds2

About 1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane

1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane (PubChem CID 159455593) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane.

Molecular Properties

Compound Name1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane
PubChem CID159455593
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane
SMILESC[C@H](O)Cc1nccn1C.C[C@H]1CO1.Cn1ccnc1
InChIInChI=1S/C7H12N2O.C4H6N2.C3H6O/c1-6(10)5-7-8-3-4-9(7)2;1-6-3-2-5-4-6;1-3-2-4-3/h3-4,6,10H,5H2,1-2H3;2-4H,1H3;3H,2H2,1H3/t6-;;3-/m0.0/s1
InChIKeyLTXVPPKXKHHNJE-RMFHETKQSA-N
XLogP1.17
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 103546972
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1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820564
N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine
CID 81015529
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CID 79761950

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane?
The IUPAC name of 1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane (CID 159455593) is 1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane.
What is the SMILES notation for 1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane?
The canonical SMILES for 1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane is C[C@H](O)Cc1nccn1C.C[C@H]1CO1.Cn1ccnc1.
What is the InChIKey of 1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane?
The InChIKey is LTXVPPKXKHHNJE-RMFHETKQSA-N. The full InChI is InChI=1S/C7H12N2O.C4H6N2.C3H6O/c1-6(10)5-7-8-3-4-9(7)2;1-6-3-2-5-4-6;1-3-2-4-3/h3-4,6,10H,5H2,1-2H3;2-4H,1H3;3H,2H2,1H3/t6-;;3-/m0.0/s1.
What are the key properties of 1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane?
1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane has a molecular weight of 280.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;(2S)-1-(1-methylimidazol-2-yl)propan-2-ol;(2S)-2-methyloxirane is sourced from PubChem (CID 159455593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).