(1-butan-2-ylimidazol-2-yl)methanol

C8H14N2O — CID 45088406

IUPAC(1-butan-2-ylimidazol-2-yl)methanol
SMILESCCC(C)n1ccnc1CO
InChIInChI=1S/C8H14N2O/c1-3-7(2)10-5-4-9-8(10)6-11/h4-5,7,11H,3,6H2,1-2H3
InChIKeyAGUUDVLKSSGSJP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.35
Rot. Bonds3

About (1-butan-2-ylimidazol-2-yl)methanol

(1-butan-2-ylimidazol-2-yl)methanol (PubChem CID 45088406) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1-butan-2-ylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-butan-2-ylimidazol-2-yl)methanol
PubChem CID45088406
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1-butan-2-ylimidazol-2-yl)methanol
SMILESCCC(C)n1ccnc1CO
InChIInChI=1S/C8H14N2O/c1-3-7(2)10-5-4-9-8(10)6-11/h4-5,7,11H,3,6H2,1-2H3
InChIKeyAGUUDVLKSSGSJP-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
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-butan-2-ylimidazol-2-yl)methanol?
The IUPAC name of (1-butan-2-ylimidazol-2-yl)methanol (CID 45088406) is (1-butan-2-ylimidazol-2-yl)methanol.
What is the SMILES notation for (1-butan-2-ylimidazol-2-yl)methanol?
The canonical SMILES for (1-butan-2-ylimidazol-2-yl)methanol is CCC(C)n1ccnc1CO.
What is the InChIKey of (1-butan-2-ylimidazol-2-yl)methanol?
The InChIKey is AGUUDVLKSSGSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-7(2)10-5-4-9-8(10)6-11/h4-5,7,11H,3,6H2,1-2H3.
What are the key properties of (1-butan-2-ylimidazol-2-yl)methanol?
(1-butan-2-ylimidazol-2-yl)methanol has a molecular weight of 154.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-ylimidazol-2-yl)methanol is sourced from PubChem (CID 45088406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).