2-(5-methyl-1H-imidazol-2-yl)butan-1-ol

C8H14N2O — CID 116882841

IUPAC2-(5-methyl-1H-imidazol-2-yl)butan-1-ol
SMILESCCC(CO)c1ncc(C)[nH]1
InChIInChI=1S/C8H14N2O/c1-3-7(5-11)8-9-4-6(2)10-8/h4,7,11H,3,5H2,1-2H3,(H,9,10)
InChIKeyBZWCNDWQQGXXQN-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.20
Rot. Bonds3

About 2-(5-methyl-1H-imidazol-2-yl)butan-1-ol

2-(5-methyl-1H-imidazol-2-yl)butan-1-ol (PubChem CID 116882841) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)butan-1-ol
PubChem CID116882841
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)butan-1-ol
SMILESCCC(CO)c1ncc(C)[nH]1
InChIInChI=1S/C8H14N2O/c1-3-7(5-11)8-9-4-6(2)10-8/h4,7,11H,3,5H2,1-2H3,(H,9,10)
InChIKeyBZWCNDWQQGXXQN-UHFFFAOYSA-N
XLogP1.20
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)butan-1-ol?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)butan-1-ol (CID 116882841) is 2-(5-methyl-1H-imidazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)butan-1-ol?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)butan-1-ol is CCC(CO)c1ncc(C)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)butan-1-ol?
The InChIKey is BZWCNDWQQGXXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-7(5-11)8-9-4-6(2)10-8/h4,7,11H,3,5H2,1-2H3,(H,9,10).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)butan-1-ol?
2-(5-methyl-1H-imidazol-2-yl)butan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)butan-1-ol is sourced from PubChem (CID 116882841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).