(2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol

C22H20N2O2 — CID 95128424

IUPAC(2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
SMILESO[C@@H](Cc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C22H20N2O2/c25-19(14-17-8-3-1-4-9-17)15-24-16-23-21(18-10-5-2-6-11-18)22(24)20-12-7-13-26-20/h1-13,16,19,25H,14-15H2/t19-/m0/s1
InChIKeyWLBHOJMIUZDLFY-IBGZPJMESA-N
MW344.41 g/mol
LogP4.41
Rot. Bonds6

About (2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol

(2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol (PubChem CID 95128424) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
PubChem CID95128424
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
SMILESO[C@@H](Cc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C22H20N2O2/c25-19(14-17-8-3-1-4-9-17)15-24-16-23-21(18-10-5-2-6-11-18)22(24)20-12-7-13-26-20/h1-13,16,19,25H,14-15H2/t19-/m0/s1
InChIKeyWLBHOJMIUZDLFY-IBGZPJMESA-N
XLogP4.41
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol (CID 95128424) is (2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol is O[C@@H](Cc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccco1.
What is the InChIKey of (2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol?
The InChIKey is WLBHOJMIUZDLFY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20N2O2/c25-19(14-17-8-3-1-4-9-17)15-24-16-23-21(18-10-5-2-6-11-18)22(24)20-12-7-13-26-20/h1-13,16,19,25H,14-15H2/t19-/m0/s1.
What are the key properties of (2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol?
(2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol has a molecular weight of 344.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol is sourced from PubChem (CID 95128424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).