4-imidazol-1-yl-4-methylpentan-2-ol

C9H16N2O — CID 18722343

IUPAC4-imidazol-1-yl-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)n1ccnc1
InChIInChI=1S/C9H16N2O/c1-8(12)6-9(2,3)11-5-4-10-7-11/h4-5,7-8,12H,6H2,1-3H3
InChIKeyNWLSTXUSVXETJK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds3

About 4-imidazol-1-yl-4-methylpentan-2-ol

4-imidazol-1-yl-4-methylpentan-2-ol (PubChem CID 18722343) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-imidazol-1-yl-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-imidazol-1-yl-4-methylpentan-2-ol
PubChem CID18722343
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-imidazol-1-yl-4-methylpentan-2-ol
SMILESCC(O)CC(C)(C)n1ccnc1
InChIInChI=1S/C9H16N2O/c1-8(12)6-9(2,3)11-5-4-10-7-11/h4-5,7-8,12H,6H2,1-3H3
InChIKeyNWLSTXUSVXETJK-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-4-methylpentan-2-ol?
The IUPAC name of 4-imidazol-1-yl-4-methylpentan-2-ol (CID 18722343) is 4-imidazol-1-yl-4-methylpentan-2-ol.
What is the SMILES notation for 4-imidazol-1-yl-4-methylpentan-2-ol?
The canonical SMILES for 4-imidazol-1-yl-4-methylpentan-2-ol is CC(O)CC(C)(C)n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-4-methylpentan-2-ol?
The InChIKey is NWLSTXUSVXETJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(12)6-9(2,3)11-5-4-10-7-11/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of 4-imidazol-1-yl-4-methylpentan-2-ol?
4-imidazol-1-yl-4-methylpentan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-4-methylpentan-2-ol is sourced from PubChem (CID 18722343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).