1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one

C30H24ClN3O7 — CID 108705128

IUPAC1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1cc(C2C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)ccc1OC
InChIInChI=1S/C30H24ClN3O7/c1-4-40-21-12-15(9-10-20(21)38-2)25-24(26(35)22-13-16-11-17(31)14-23(39-3)28(16)41-22)27(36)29(37)34(25)30-32-18-7-5-6-8-19(18)33-30/h5-14,25,36H,4H2,1-3H3,(H,32,33)
InChIKeyHQJHUQBHESBLOH-UHFFFAOYSA-N
MW573.99 g/mol
LogP6.16
Rot. Bonds8

About 1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one

1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108705128) has the molecular formula C30H24ClN3O7 and a molecular weight of 573.99 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108705128
Molecular FormulaC30H24ClN3O7
Molecular Weight573.99 g/mol
Exact Mass573.13
IUPAC Name1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1cc(C2C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)ccc1OC
InChIInChI=1S/C30H24ClN3O7/c1-4-40-21-12-15(9-10-20(21)38-2)25-24(26(35)22-13-16-11-17(31)14-23(39-3)28(16)41-22)27(36)29(37)34(25)30-32-18-7-5-6-8-19(18)33-30/h5-14,25,36H,4H2,1-3H3,(H,32,33)
InChIKeyHQJHUQBHESBLOH-UHFFFAOYSA-N
XLogP6.16
TPSA127.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.99
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3,5-dimethylphenyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108703736
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3,4-diethoxyphenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108677875
1-(1H-benzimidazol-2-yl)-2-[4-(diethylamino)phenyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108711503
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-[4-(dimethylamino)phenyl]-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108715537
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108715624
2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108704431
(4E)-1-(1H-benzimidazol-2-yl)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-5-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108705051
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639249
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(5-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108701166
2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108703909
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625787
1-(3,5-dimethylphenyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108703735

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one (CID 108705128) is 1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one is CCOc1cc(C2C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)=C(O)C(=O)N2c2nc3ccccc3[nH]2)ccc1OC.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is HQJHUQBHESBLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O7/c1-4-40-21-12-15(9-10-20(21)38-2)25-24(26(35)22-13-16-11-17(31)14-23(39-3)28(16)41-22)27(36)29(37)34(25)30-32-18-7-5-6-8-19(18)33-30/h5-14,25,36H,4H2,1-3H3,(H,32,33).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?
1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 573.99 g/mol, XLogP of 6.16, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108705128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).