(1-butylimidazol-2-yl)methanol

C8H14N2O — CID 579275

IUPAC(1-butylimidazol-2-yl)methanol
SMILESCCCCn1ccnc1CO
InChIInChI=1S/C8H14N2O/c1-2-3-5-10-6-4-9-8(10)7-11/h4,6,11H,2-3,5,7H2,1H3
InChIKeyAOPMHPFNYCNHJU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.18
Rot. Bonds4

About (1-butylimidazol-2-yl)methanol

(1-butylimidazol-2-yl)methanol (PubChem CID 579275) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1-butylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-butylimidazol-2-yl)methanol
PubChem CID579275
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1-butylimidazol-2-yl)methanol
SMILESCCCCn1ccnc1CO
InChIInChI=1S/C8H14N2O/c1-2-3-5-10-6-4-9-8(10)7-11/h4,6,11H,2-3,5,7H2,1H3
InChIKeyAOPMHPFNYCNHJU-UHFFFAOYSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butylimidazol-2-yl)methanol?
The IUPAC name of (1-butylimidazol-2-yl)methanol (CID 579275) is (1-butylimidazol-2-yl)methanol.
What is the SMILES notation for (1-butylimidazol-2-yl)methanol?
The canonical SMILES for (1-butylimidazol-2-yl)methanol is CCCCn1ccnc1CO.
What is the InChIKey of (1-butylimidazol-2-yl)methanol?
The InChIKey is AOPMHPFNYCNHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-5-10-6-4-9-8(10)7-11/h4,6,11H,2-3,5,7H2,1H3.
What are the key properties of (1-butylimidazol-2-yl)methanol?
(1-butylimidazol-2-yl)methanol has a molecular weight of 154.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylimidazol-2-yl)methanol is sourced from PubChem (CID 579275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).