4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol

C20H18N2O3 — CID 70732332

IUPAC4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol
SMILESC[C@H]([C@@H](O)c1ccc(O)cc1)n1ccnc1-c1cc2ccccc2o1
InChIInChI=1S/C20H18N2O3/c1-13(19(24)14-6-8-16(23)9-7-14)22-11-10-21-20(22)18-12-15-4-2-3-5-17(15)25-18/h2-13,19,23-24H,1H3/t13-,19-/m1/s1
InChIKeyFQEBRXLPZNFWOV-BFUOFWGJSA-N
MW334.38 g/mol
LogP4.30
Rot. Bonds4

About 4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol

4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol (PubChem CID 70732332) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol
PubChem CID70732332
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol
SMILESC[C@H]([C@@H](O)c1ccc(O)cc1)n1ccnc1-c1cc2ccccc2o1
InChIInChI=1S/C20H18N2O3/c1-13(19(24)14-6-8-16(23)9-7-14)22-11-10-21-20(22)18-12-15-4-2-3-5-17(15)25-18/h2-13,19,23-24H,1H3/t13-,19-/m1/s1
InChIKeyFQEBRXLPZNFWOV-BFUOFWGJSA-N
XLogP4.30
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol?
The IUPAC name of 4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol (CID 70732332) is 4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol.
What is the SMILES notation for 4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol?
The canonical SMILES for 4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol is C[C@H]([C@@H](O)c1ccc(O)cc1)n1ccnc1-c1cc2ccccc2o1.
What is the InChIKey of 4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol?
The InChIKey is FQEBRXLPZNFWOV-BFUOFWGJSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13(19(24)14-6-8-16(23)9-7-14)22-11-10-21-20(22)18-12-15-4-2-3-5-17(15)25-18/h2-13,19,23-24H,1H3/t13-,19-/m1/s1.
What are the key properties of 4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol?
4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol has a molecular weight of 334.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol is sourced from PubChem (CID 70732332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).