1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol

C9H18N2O — CID 58841196

IUPAC1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol
SMILESCCC(O)CN1C=CN(C)C1C
InChIInChI=1S/C9H18N2O/c1-4-9(12)7-11-6-5-10(3)8(11)2/h5-6,8-9,12H,4,7H2,1-3H3
InChIKeyIMUSZGNGDIHEGJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.82
Rot. Bonds3

About 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol

1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol (PubChem CID 58841196) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol
PubChem CID58841196
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol
SMILESCCC(O)CN1C=CN(C)C1C
InChIInChI=1S/C9H18N2O/c1-4-9(12)7-11-6-5-10(3)8(11)2/h5-6,8-9,12H,4,7H2,1-3H3
InChIKeyIMUSZGNGDIHEGJ-UHFFFAOYSA-N
XLogP0.82
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol?
The IUPAC name of 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol (CID 58841196) is 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol is CCC(O)CN1C=CN(C)C1C.
What is the InChIKey of 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol?
The InChIKey is IMUSZGNGDIHEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-9(12)7-11-6-5-10(3)8(11)2/h5-6,8-9,12H,4,7H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol?
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol has a molecular weight of 170.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol is sourced from PubChem (CID 58841196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).