(2-butylimidazol-1-yl)methanol

C8H14N2O — CID 22012500

IUPAC(2-butylimidazol-1-yl)methanol
SMILESCCCCc1nccn1CO
InChIInChI=1S/C8H14N2O/c1-2-3-4-8-9-5-6-10(8)7-11/h5-6,11H,2-4,7H2,1H3
InChIKeyGDRCCELEQCYCAQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.18
Rot. Bonds4

About (2-butylimidazol-1-yl)methanol

(2-butylimidazol-1-yl)methanol (PubChem CID 22012500) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2-butylimidazol-1-yl)methanol.

Molecular Properties

Compound Name(2-butylimidazol-1-yl)methanol
PubChem CID22012500
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2-butylimidazol-1-yl)methanol
SMILESCCCCc1nccn1CO
InChIInChI=1S/C8H14N2O/c1-2-3-4-8-9-5-6-10(8)7-11/h5-6,11H,2-4,7H2,1H3
InChIKeyGDRCCELEQCYCAQ-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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Related Compounds

2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
1,2-di(pentadecyl)imidazole
CID 69388452
(2-hexylimidazol-1-yl)methanamine
CID 141279127
3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
CID 140833527
2-butyl-1-(3-propan-2-yloxypropyl)imidazole
CID 57089790
2-dodecyl-1-ethylimidazole;trifluoromethanesulfonic acid
CID 173328420
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
1-benzyl-2-octylimidazole
CID 70491727
2-butyl-1-methylimidazole;fluoroform
CID 162050255
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
1-butyl-2-(2-methylsulfanylethyl)imidazole;platinum
CID 174536207
1-methyl-2-nonylimidazole
CID 67393993

Frequently Asked Questions

What is the IUPAC name of (2-butylimidazol-1-yl)methanol?
The IUPAC name of (2-butylimidazol-1-yl)methanol (CID 22012500) is (2-butylimidazol-1-yl)methanol.
What is the SMILES notation for (2-butylimidazol-1-yl)methanol?
The canonical SMILES for (2-butylimidazol-1-yl)methanol is CCCCc1nccn1CO.
What is the InChIKey of (2-butylimidazol-1-yl)methanol?
The InChIKey is GDRCCELEQCYCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-4-8-9-5-6-10(8)7-11/h5-6,11H,2-4,7H2,1H3.
What are the key properties of (2-butylimidazol-1-yl)methanol?
(2-butylimidazol-1-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 (2-butylimidazol-1-yl)methanol is sourced from PubChem (CID 22012500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).