1-[(2S)-1-butoxypropan-2-yl]imidazole

C10H18N2O — CID 101426266

IUPAC1-[(2S)-1-butoxypropan-2-yl]imidazole
SMILESCCCCOC[C@H](C)n1ccnc1
InChIInChI=1S/C10H18N2O/c1-3-4-7-13-8-10(2)12-6-5-11-9-12/h5-6,9-10H,3-4,7-8H2,1-2H3/t10-/m0/s1
InChIKeyVRZBQEBMQFTGCT-JTQLQIEISA-N
MW182.27 g/mol
LogP2.26
Rot. Bonds6

About 1-[(2S)-1-butoxypropan-2-yl]imidazole

1-[(2S)-1-butoxypropan-2-yl]imidazole (PubChem CID 101426266) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[(2S)-1-butoxypropan-2-yl]imidazole.

Molecular Properties

Compound Name1-[(2S)-1-butoxypropan-2-yl]imidazole
PubChem CID101426266
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[(2S)-1-butoxypropan-2-yl]imidazole
SMILESCCCCOC[C@H](C)n1ccnc1
InChIInChI=1S/C10H18N2O/c1-3-4-7-13-8-10(2)12-6-5-11-9-12/h5-6,9-10H,3-4,7-8H2,1-2H3/t10-/m0/s1
InChIKeyVRZBQEBMQFTGCT-JTQLQIEISA-N
XLogP2.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-butoxypropan-2-yl]imidazole?
The IUPAC name of 1-[(2S)-1-butoxypropan-2-yl]imidazole (CID 101426266) is 1-[(2S)-1-butoxypropan-2-yl]imidazole.
What is the SMILES notation for 1-[(2S)-1-butoxypropan-2-yl]imidazole?
The canonical SMILES for 1-[(2S)-1-butoxypropan-2-yl]imidazole is CCCCOC[C@H](C)n1ccnc1.
What is the InChIKey of 1-[(2S)-1-butoxypropan-2-yl]imidazole?
The InChIKey is VRZBQEBMQFTGCT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-7-13-8-10(2)12-6-5-11-9-12/h5-6,9-10H,3-4,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-1-butoxypropan-2-yl]imidazole?
1-[(2S)-1-butoxypropan-2-yl]imidazole has a molecular weight of 182.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-butoxypropan-2-yl]imidazole is sourced from PubChem (CID 101426266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).