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

C24H15F2N3O3 — CID 90882294

IUPAC[1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(O)c(O)n(-c2ccc3nc[nH]c3c2)c1-c1cccc(F)c1F
InChIInChI=1S/C24H15F2N3O3/c25-16-8-4-7-15(20(16)26)21-19(22(30)13-5-2-1-3-6-13)23(31)24(32)29(21)14-9-10-17-18(11-14)28-12-27-17/h1-12,31-32H,(H,27,28)
InChIKeyLVHXJIUGPGDCBP-UHFFFAOYSA-N
MW431.40 g/mol
LogP4.94
Rot. Bonds4

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

[1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone (PubChem CID 90882294) has the molecular formula C24H15F2N3O3 and a molecular weight of 431.40 g/mol. Its IUPAC name is [1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone
PubChem CID90882294
Molecular FormulaC24H15F2N3O3
Molecular Weight431.40 g/mol
Exact Mass431.11
IUPAC Name[1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(O)c(O)n(-c2ccc3nc[nH]c3c2)c1-c1cccc(F)c1F
InChIInChI=1S/C24H15F2N3O3/c25-16-8-4-7-15(20(16)26)21-19(22(30)13-5-2-1-3-6-13)23(31)24(32)29(21)14-9-10-17-18(11-14)28-12-27-17/h1-12,31-32H,(H,27,28)
InChIKeyLVHXJIUGPGDCBP-UHFFFAOYSA-N
XLogP4.94
TPSA91.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone 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 [1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone?
The IUPAC name of [1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone (CID 90882294) is [1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone is O=C(c1ccccc1)c1c(O)c(O)n(-c2ccc3nc[nH]c3c2)c1-c1cccc(F)c1F.
What is the InChIKey of [1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone?
The InChIKey is LVHXJIUGPGDCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3O3/c25-16-8-4-7-15(20(16)26)21-19(22(30)13-5-2-1-3-6-13)23(31)24(32)29(21)14-9-10-17-18(11-14)28-12-27-17/h1-12,31-32H,(H,27,28).
What are the key properties of [1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone?
[1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone has a molecular weight of 431.40 g/mol, XLogP of 4.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3H-benzimidazol-5-yl)-2-(2,3-difluorophenyl)-4,5-dihydroxypyrrol-3-yl]-phenylmethanone is sourced from PubChem (CID 90882294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).