3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one

C20H15F2N3O — CID 21061653

IUPAC3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Nc3ccc(F)cc3F)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H15F2N3O/c21-14-6-8-17(16(22)10-14)23-15-7-9-19-18(11-15)24-20(26)25(19)12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,26)
InChIKeyLEBWWKJKEKUXJE-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.40
Rot. Bonds4

About 3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one

3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one (PubChem CID 21061653) has the molecular formula C20H15F2N3O and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one
PubChem CID21061653
Molecular FormulaC20H15F2N3O
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Nc3ccc(F)cc3F)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H15F2N3O/c21-14-6-8-17(16(22)10-14)23-15-7-9-19-18(11-15)24-20(26)25(19)12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,26)
InChIKeyLEBWWKJKEKUXJE-UHFFFAOYSA-N
XLogP4.40
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one (CID 21061653) is 3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one is O=c1[nH]c2cc(Nc3ccc(F)cc3F)ccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one?
The InChIKey is LEBWWKJKEKUXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O/c21-14-6-8-17(16(22)10-14)23-15-7-9-19-18(11-15)24-20(26)25(19)12-13-4-2-1-3-5-13/h1-11,23H,12H2,(H,24,26).
What are the key properties of 3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one?
3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one has a molecular weight of 351.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(2,4-difluoroanilino)-1H-benzimidazol-2-one is sourced from PubChem (CID 21061653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).