[1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone

C23H15F2N3O4 — CID 123648510

IUPAC[1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2c(O)c(O)n(-c3nc4ccccc4[nH]3)c2-c2cccc(F)c2F)o1
InChIInChI=1S/C23H15F2N3O4/c1-11-9-10-16(32-11)20(29)17-19(12-5-4-6-13(24)18(12)25)28(22(31)21(17)30)23-26-14-7-2-3-8-15(14)27-23/h2-10,30-31H,1H3,(H,26,27)
InChIKeyXUIJMOMYSBKZQU-UHFFFAOYSA-N
MW435.39 g/mol
LogP4.84
Rot. Bonds4

About [1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone

[1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 123648510) has the molecular formula C23H15F2N3O4 and a molecular weight of 435.39 g/mol. Its IUPAC name is [1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone
PubChem CID123648510
Molecular FormulaC23H15F2N3O4
Molecular Weight435.39 g/mol
Exact Mass435.10
IUPAC Name[1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2c(O)c(O)n(-c3nc4ccccc4[nH]3)c2-c2cccc(F)c2F)o1
InChIInChI=1S/C23H15F2N3O4/c1-11-9-10-16(32-11)20(29)17-19(12-5-4-6-13(24)18(12)25)28(22(31)21(17)30)23-26-14-7-2-3-8-15(14)27-23/h2-10,30-31H,1H3,(H,26,27)
InChIKeyXUIJMOMYSBKZQU-UHFFFAOYSA-N
XLogP4.84
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone (CID 123648510) is [1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)c2c(O)c(O)n(-c3nc4ccccc4[nH]3)c2-c2cccc(F)c2F)o1.
What is the InChIKey of [1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is XUIJMOMYSBKZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O4/c1-11-9-10-16(32-11)20(29)17-19(12-5-4-6-13(24)18(12)25)28(22(31)21(17)30)23-26-14-7-2-3-8-15(14)27-23/h2-10,30-31H,1H3,(H,26,27).
What are the key properties of [1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone?
[1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 435.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-benzimidazol-2-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 123648510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).