(7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C22H20N2O7 — CID 11510103

IUPAC(7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-n3ccnc3)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C22H20N2O7/c1-27-14-6-5-13-17(22(24-8-7-23-11-24)31-20(13)19(14)26)18(25)12-9-15(28-2)21(30-4)16(10-12)29-3/h5-11,26H,1-4H3
InChIKeyMSMLZDUJQDJZFU-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.59
Rot. Bonds7

About (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11510103) has the molecular formula C22H20N2O7 and a molecular weight of 424.41 g/mol. Its IUPAC name is (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11510103
Molecular FormulaC22H20N2O7
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name(7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-n3ccnc3)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C22H20N2O7/c1-27-14-6-5-13-17(22(24-8-7-23-11-24)31-20(13)19(14)26)18(25)12-9-15(28-2)21(30-4)16(10-12)29-3/h5-11,26H,1-4H3
InChIKeyMSMLZDUJQDJZFU-UHFFFAOYSA-N
XLogP3.59
TPSA105.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 11510103) is (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(-n3ccnc3)oc3c(O)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is MSMLZDUJQDJZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O7/c1-27-14-6-5-13-17(22(24-8-7-23-11-24)31-20(13)19(14)26)18(25)12-9-15(28-2)21(30-4)16(10-12)29-3/h5-11,26H,1-4H3.
What are the key properties of (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 424.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-2-imidazol-1-yl-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11510103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).