(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol

C16H18N2O2 — CID 105098446

IUPAC(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H18N2O2/c1-3-7-18-8-6-17-16(18)15(19)14-10-12-9-11(2)4-5-13(12)20-14/h4-6,8-10,15,19H,3,7H2,1-2H3
InChIKeyVLYFFWZDHIXEEL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.43
Rot. Bonds4

About (5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol

(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol (PubChem CID 105098446) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol
PubChem CID105098446
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H18N2O2/c1-3-7-18-8-6-17-16(18)15(19)14-10-12-9-11(2)4-5-13(12)20-14/h4-6,8-10,15,19H,3,7H2,1-2H3
InChIKeyVLYFFWZDHIXEEL-UHFFFAOYSA-N
XLogP3.43
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 61316298
1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105149774
(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 81116918
(5-ethylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 63976677
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
CID 114822737
(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol
CID 113365536
(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
CID 114329829
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
(5-methyl-1-benzofuran-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105129238
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol (CID 105098446) is (5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1cc2cc(C)ccc2o1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is VLYFFWZDHIXEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-7-18-8-6-17-16(18)15(19)14-10-12-9-11(2)4-5-13(12)20-14/h4-6,8-10,15,19H,3,7H2,1-2H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol?
(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 270.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 105098446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).