(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C28H22N2O6 — CID 99988771

IUPAC(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc5c(c3)n(C)c(=O)n5C)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C28H22N2O6/c1-29-20-10-6-16(13-21(20)30(2)28(29)33)19-14-24(31)35-22-11-9-18-26(32)23(36-27(18)25(19)22)12-15-4-7-17(34-3)8-5-15/h4-13,19H,14H2,1-3H3/b23-12-/t19-/m1/s1
InChIKeyBQGZPZICQDLDOS-PAEMTNLTSA-N
MW482.49 g/mol
LogP3.94
Rot. Bonds3

About (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 99988771) has the molecular formula C28H22N2O6 and a molecular weight of 482.49 g/mol. Its IUPAC name is (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID99988771
Molecular FormulaC28H22N2O6
Molecular Weight482.49 g/mol
Exact Mass482.15
IUPAC Name(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc5c(c3)n(C)c(=O)n5C)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C28H22N2O6/c1-29-20-10-6-16(13-21(20)30(2)28(29)33)19-14-24(31)35-22-11-9-18-26(32)23(36-27(18)25(19)22)12-15-4-7-17(34-3)8-5-15/h4-13,19H,14H2,1-3H3/b23-12-/t19-/m1/s1
InChIKeyBQGZPZICQDLDOS-PAEMTNLTSA-N
XLogP3.94
TPSA88.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione with MolForge

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

Launch Full Analysis

Related Compounds

(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124878935
(2E,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991304
(2Z,9R)-2-[(4-methoxyphenyl)methylidene]-9-(3-methoxy-4-propan-2-yloxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99995987
2-[(4-methoxyphenyl)methylidene]-9-(1-methylpyrazol-4-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163000128
4-[2-[(4-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]benzoic acid
CID 163024314
[2,6-dimethoxy-4-[(2E,9S)-2-[(4-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenyl] acetate
CID 99984054
(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(2-methylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 91636704
9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163069735
(2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991445
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252728
(2Z,9S)-2-[(4-methoxyphenyl)methylidene]-9-(4-octoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99983839
(2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99996616

Frequently Asked Questions

What is the IUPAC name of (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 99988771) is (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc5c(c3)n(C)c(=O)n5C)CC(=O)O4)C2=O)cc1.
What is the InChIKey of (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is BQGZPZICQDLDOS-PAEMTNLTSA-N. The full InChI is InChI=1S/C28H22N2O6/c1-29-20-10-6-16(13-21(20)30(2)28(29)33)19-14-24(31)35-22-11-9-18-26(32)23(36-27(18)25(19)22)12-15-4-7-17(34-3)8-5-15/h4-13,19H,14H2,1-3H3/b23-12-/t19-/m1/s1.
What are the key properties of (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 482.49 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 99988771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).