[3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol

C19H20N2O2S — CID 56897423

IUPAC[3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol
SMILESOCc1cccc(-n2ccnc2-c2ccc(C3CCCCO3)s2)c1
InChIInChI=1S/C19H20N2O2S/c22-13-14-4-3-5-15(12-14)21-10-9-20-19(21)18-8-7-17(24-18)16-6-1-2-11-23-16/h3-5,7-10,12,16,22H,1-2,6,11,13H2
InChIKeyLTWWGWACIGUUKG-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.33
Rot. Bonds4

About [3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol

[3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol (PubChem CID 56897423) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is [3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol
PubChem CID56897423
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name[3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol
SMILESOCc1cccc(-n2ccnc2-c2ccc(C3CCCCO3)s2)c1
InChIInChI=1S/C19H20N2O2S/c22-13-14-4-3-5-15(12-14)21-10-9-20-19(21)18-8-7-17(24-18)16-6-1-2-11-23-16/h3-5,7-10,12,16,22H,1-2,6,11,13H2
InChIKeyLTWWGWACIGUUKG-UHFFFAOYSA-N
XLogP4.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol?
The IUPAC name of [3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol (CID 56897423) is [3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol.
What is the SMILES notation for [3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol?
The canonical SMILES for [3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol is OCc1cccc(-n2ccnc2-c2ccc(C3CCCCO3)s2)c1.
What is the InChIKey of [3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol?
The InChIKey is LTWWGWACIGUUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-13-14-4-3-5-15(12-14)21-10-9-20-19(21)18-8-7-17(24-18)16-6-1-2-11-23-16/h3-5,7-10,12,16,22H,1-2,6,11,13H2.
What are the key properties of [3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol?
[3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol has a molecular weight of 340.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[5-(oxan-2-yl)thiophen-2-yl]imidazol-1-yl]phenyl]methanol is sourced from PubChem (CID 56897423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).