1H-imidazole;3-methylpentan-2-ol;hydrochloride

C9H19ClN2O — CID 173066373

IUPAC1H-imidazole;3-methylpentan-2-ol;hydrochloride
SMILESCCC(C)C(C)O.Cl.c1c[nH]cn1
InChIInChI=1S/C6H14O.C3H4N2.ClH/c1-4-5(2)6(3)7;1-2-5-3-4-1;/h5-7H,4H2,1-3H3;1-3H,(H,4,5);1H
InChIKeyNYUNFDXCCUPCAQ-UHFFFAOYSA-N
MW206.72 g/mol
LogP2.24
Rot. Bonds2

About 1H-imidazole;3-methylpentan-2-ol;hydrochloride

1H-imidazole;3-methylpentan-2-ol;hydrochloride (PubChem CID 173066373) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 1H-imidazole;3-methylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name1H-imidazole;3-methylpentan-2-ol;hydrochloride
PubChem CID173066373
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name1H-imidazole;3-methylpentan-2-ol;hydrochloride
SMILESCCC(C)C(C)O.Cl.c1c[nH]cn1
InChIInChI=1S/C6H14O.C3H4N2.ClH/c1-4-5(2)6(3)7;1-2-5-3-4-1;/h5-7H,4H2,1-3H3;1-3H,(H,4,5);1H
InChIKeyNYUNFDXCCUPCAQ-UHFFFAOYSA-N
XLogP2.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;3-methylpentan-2-ol;hydrochloride?
The IUPAC name of 1H-imidazole;3-methylpentan-2-ol;hydrochloride (CID 173066373) is 1H-imidazole;3-methylpentan-2-ol;hydrochloride.
What is the SMILES notation for 1H-imidazole;3-methylpentan-2-ol;hydrochloride?
The canonical SMILES for 1H-imidazole;3-methylpentan-2-ol;hydrochloride is CCC(C)C(C)O.Cl.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;3-methylpentan-2-ol;hydrochloride?
The InChIKey is NYUNFDXCCUPCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C3H4N2.ClH/c1-4-5(2)6(3)7;1-2-5-3-4-1;/h5-7H,4H2,1-3H3;1-3H,(H,4,5);1H.
What are the key properties of 1H-imidazole;3-methylpentan-2-ol;hydrochloride?
1H-imidazole;3-methylpentan-2-ol;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;3-methylpentan-2-ol;hydrochloride is sourced from PubChem (CID 173066373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).