4-imidazol-1-yl-2,2-dimethylhexan-3-ol

C11H20N2O — CID 58325903

IUPAC4-imidazol-1-yl-2,2-dimethylhexan-3-ol
SMILESCCC(C(O)C(C)(C)C)n1ccnc1
InChIInChI=1S/C11H20N2O/c1-5-9(10(14)11(2,3)4)13-7-6-12-8-13/h6-10,14H,5H2,1-4H3
InChIKeyXDNDQOFPESVGID-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.24
Rot. Bonds3

About 4-imidazol-1-yl-2,2-dimethylhexan-3-ol

4-imidazol-1-yl-2,2-dimethylhexan-3-ol (PubChem CID 58325903) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-imidazol-1-yl-2,2-dimethylhexan-3-ol.

Molecular Properties

Compound Name4-imidazol-1-yl-2,2-dimethylhexan-3-ol
PubChem CID58325903
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-imidazol-1-yl-2,2-dimethylhexan-3-ol
SMILESCCC(C(O)C(C)(C)C)n1ccnc1
InChIInChI=1S/C11H20N2O/c1-5-9(10(14)11(2,3)4)13-7-6-12-8-13/h6-10,14H,5H2,1-4H3
InChIKeyXDNDQOFPESVGID-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.24
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-2,2-dimethylhexan-3-ol?
The IUPAC name of 4-imidazol-1-yl-2,2-dimethylhexan-3-ol (CID 58325903) is 4-imidazol-1-yl-2,2-dimethylhexan-3-ol.
What is the SMILES notation for 4-imidazol-1-yl-2,2-dimethylhexan-3-ol?
The canonical SMILES for 4-imidazol-1-yl-2,2-dimethylhexan-3-ol is CCC(C(O)C(C)(C)C)n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-2,2-dimethylhexan-3-ol?
The InChIKey is XDNDQOFPESVGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9(10(14)11(2,3)4)13-7-6-12-8-13/h6-10,14H,5H2,1-4H3.
What are the key properties of 4-imidazol-1-yl-2,2-dimethylhexan-3-ol?
4-imidazol-1-yl-2,2-dimethylhexan-3-ol has a molecular weight of 196.29 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 4-imidazol-1-yl-2,2-dimethylhexan-3-ol is sourced from PubChem (CID 58325903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).