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

C9H18ClN2O- — CID 158745308

IUPAC1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride
SMILESCCC(O)CN1C=CN(C)C1C.[Cl-]
InChIInChI=1S/C9H18N2O.ClH/c1-4-9(12)7-11-6-5-10(3)8(11)2;/h5-6,8-9,12H,4,7H2,1-3H3;1H/p-1
InChIKeyOKIDLCVITALUAD-UHFFFAOYSA-M
MW205.71 g/mol
LogP-2.17
Rot. Bonds3

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

1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride (PubChem CID 158745308) has the molecular formula C9H18ClN2O- and a molecular weight of 205.71 g/mol. Its IUPAC name is 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride.

Molecular Properties

Compound Name1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride
PubChem CID158745308
Molecular FormulaC9H18ClN2O-
Molecular Weight205.71 g/mol
Exact Mass205.11
IUPAC Name1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride
SMILESCCC(O)CN1C=CN(C)C1C.[Cl-]
InChIInChI=1S/C9H18N2O.ClH/c1-4-9(12)7-11-6-5-10(3)8(11)2;/h5-6,8-9,12H,4,7H2,1-3H3;1H/p-1
InChIKeyOKIDLCVITALUAD-UHFFFAOYSA-M
XLogP-2.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 5-2.17
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 chloride?
The IUPAC name of 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride (CID 158745308) is 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride.
What is the SMILES notation for 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride?
The canonical SMILES for 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride is CCC(O)CN1C=CN(C)C1C.[Cl-].
What is the InChIKey of 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride?
The InChIKey is OKIDLCVITALUAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18N2O.ClH/c1-4-9(12)7-11-6-5-10(3)8(11)2;/h5-6,8-9,12H,4,7H2,1-3H3;1H/p-1.
What are the key properties of 1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride?
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride has a molecular weight of 205.71 g/mol, XLogP of -2.17, 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 chloride is sourced from PubChem (CID 158745308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).