(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol

C12H16N2O2 — CID 114822737

IUPAC(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1coc(C)c1
InChIInChI=1S/C12H16N2O2/c1-3-5-14-6-4-13-12(14)11(15)10-7-9(2)16-8-10/h4,6-8,11,15H,3,5H2,1-2H3
InChIKeyYXPIWAPDYPWIDO-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.28
Rot. Bonds4

About (5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol

(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol (PubChem CID 114822737) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
PubChem CID114822737
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1coc(C)c1
InChIInChI=1S/C12H16N2O2/c1-3-5-14-6-4-13-12(14)11(15)10-7-9(2)16-8-10/h4,6-8,11,15H,3,5H2,1-2H3
InChIKeyYXPIWAPDYPWIDO-UHFFFAOYSA-N
XLogP2.28
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
CID 114329829
(5-methylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 61316298
(1-propylimidazol-2-yl)-(1H-pyrazol-4-yl)methanol
CID 63080686
(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543
(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol
CID 113365536
(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol
CID 103216817
(3-methoxyphenyl)-(1-propylimidazol-2-yl)methanol
CID 61317073
(5-ethylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 63976677
(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 105098446
(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 81116918
(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63976478
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol (CID 114822737) is (5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1coc(C)c1.
What is the InChIKey of (5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is YXPIWAPDYPWIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-5-14-6-4-13-12(14)11(15)10-7-9(2)16-8-10/h4,6-8,11,15H,3,5H2,1-2H3.
What are the key properties of (5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol?
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 220.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 114822737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).