[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol

C12H12N2O2 — CID 23445211

IUPAC[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol
SMILESOCc1cn(-c2ccc3c(c2)COC3)cn1
InChIInChI=1S/C12H12N2O2/c15-5-11-4-14(8-13-11)12-2-1-9-6-16-7-10(9)3-12/h1-4,8,15H,5-7H2
InChIKeyWSTGOSOTTBCFCR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.39
Rot. Bonds2

About [1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol

[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol (PubChem CID 23445211) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is [1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol
PubChem CID23445211
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol
SMILESOCc1cn(-c2ccc3c(c2)COC3)cn1
InChIInChI=1S/C12H12N2O2/c15-5-11-4-14(8-13-11)12-2-1-9-6-16-7-10(9)3-12/h1-4,8,15H,5-7H2
InChIKeyWSTGOSOTTBCFCR-UHFFFAOYSA-N
XLogP1.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-((1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)methoxy)pentanenitrile
CID 44407241
6-((1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)methoxy)hexanenitrile
CID 44407243
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-isopropyl-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407262
(3-Benzyl-2-methylimidazol-4-yl)-[4-(dimethylamino)phenyl]methanol
CID 304296
[4-(dimethylamino)phenyl](1-ethyl-1H-imidazol-2-yl)methanol
CID 648921
(4-(1H-Imidazol-1-yl)phenyl)methanol
CID 2776486
2-(4-(2-sec-butyl-5-(hydroxymethyl)-1H-imidazol-1-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 44407261
1,1,1,3,3,3-hexafluoro-2-(4-(4-(hydroxymethyl)-2-isopropyl-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407207
(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethan-1-ol
CID 1482421
(1R)-1-(4-(1H-imidazol-1-yl)phenyl)ethan-1-ol
CID 1482422
[4-(dimethylamino)phenyl](1-methyl-1H-imidazol-2-yl)methanol
CID 2859460
Cambridge id 6036286
CID 3131362

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol?
The IUPAC name of [1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol (CID 23445211) is [1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol.
What is the SMILES notation for [1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol?
The canonical SMILES for [1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol is OCc1cn(-c2ccc3c(c2)COC3)cn1.
What is the InChIKey of [1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol?
The InChIKey is WSTGOSOTTBCFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-5-11-4-14(8-13-11)12-2-1-9-6-16-7-10(9)3-12/h1-4,8,15H,5-7H2.
What are the key properties of [1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol?
[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol has a molecular weight of 216.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol is sourced from PubChem (CID 23445211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).