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

C12H26N2O — CID 91360717

IUPAC1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane
SMILESCCC.CCC(O)CN1C=CN(C)C1C
InChIInChI=1S/C9H18N2O.C3H8/c1-4-9(12)7-11-6-5-10(3)8(11)2;1-3-2/h5-6,8-9,12H,4,7H2,1-3H3;3H2,1-2H3
InChIKeyIHIPVOCKRITPFS-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.24
Rot. Bonds3

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

1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane (PubChem CID 91360717) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane.

Molecular Properties

Compound Name1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane
PubChem CID91360717
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane
SMILESCCC.CCC(O)CN1C=CN(C)C1C
InChIInChI=1S/C9H18N2O.C3H8/c1-4-9(12)7-11-6-5-10(3)8(11)2;1-3-2/h5-6,8-9,12H,4,7H2,1-3H3;3H2,1-2H3
InChIKeyIHIPVOCKRITPFS-UHFFFAOYSA-N
XLogP2.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.24
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;propane?
The IUPAC name of 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane (CID 91360717) is 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane.
What is the SMILES notation for 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane?
The canonical SMILES for 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane is CCC.CCC(O)CN1C=CN(C)C1C.
What is the InChIKey of 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane?
The InChIKey is IHIPVOCKRITPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C3H8/c1-4-9(12)7-11-6-5-10(3)8(11)2;1-3-2/h5-6,8-9,12H,4,7H2,1-3H3;3H2,1-2H3.
What are the key properties of 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane?
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane has a molecular weight of 214.35 g/mol, XLogP of 2.24, 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;propane is sourced from PubChem (CID 91360717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).