1-(2-methylimidazol-1-yl)pentan-2-ol

C9H16N2O — CID 62041933

IUPAC1-(2-methylimidazol-1-yl)pentan-2-ol
SMILESCCCC(O)Cn1ccnc1C
InChIInChI=1S/C9H16N2O/c1-3-4-9(12)7-11-6-5-10-8(11)2/h5-6,9,12H,3-4,7H2,1-2H3
InChIKeyMXYCEQUBDVOQOI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-methylimidazol-1-yl)pentan-2-ol

1-(2-methylimidazol-1-yl)pentan-2-ol (PubChem CID 62041933) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-methylimidazol-1-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(2-methylimidazol-1-yl)pentan-2-ol
PubChem CID62041933
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(2-methylimidazol-1-yl)pentan-2-ol
SMILESCCCC(O)Cn1ccnc1C
InChIInChI=1S/C9H16N2O/c1-3-4-9(12)7-11-6-5-10-8(11)2/h5-6,9,12H,3-4,7H2,1-2H3
InChIKeyMXYCEQUBDVOQOI-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazol-1-yl)pentan-2-ol?
The IUPAC name of 1-(2-methylimidazol-1-yl)pentan-2-ol (CID 62041933) is 1-(2-methylimidazol-1-yl)pentan-2-ol.
What is the SMILES notation for 1-(2-methylimidazol-1-yl)pentan-2-ol?
The canonical SMILES for 1-(2-methylimidazol-1-yl)pentan-2-ol is CCCC(O)Cn1ccnc1C.
What is the InChIKey of 1-(2-methylimidazol-1-yl)pentan-2-ol?
The InChIKey is MXYCEQUBDVOQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-9(12)7-11-6-5-10-8(11)2/h5-6,9,12H,3-4,7H2,1-2H3.
What are the key properties of 1-(2-methylimidazol-1-yl)pentan-2-ol?
1-(2-methylimidazol-1-yl)pentan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazol-1-yl)pentan-2-ol is sourced from PubChem (CID 62041933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).