1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one

C17H12F2N4O3 — CID 51030959

IUPAC1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one
SMILESO=C1NCC(c2ccc3c(c2)OC(F)(F)O3)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H12F2N4O3/c18-17(19)25-14-4-1-9(5-15(14)26-17)13-7-20-16(24)23(13)10-2-3-11-12(6-10)22-8-21-11/h1-6,8,13H,7H2,(H,20,24)(H,21,22)
InChIKeyYQYZHMRBCDCVOR-UHFFFAOYSA-N
MW358.30 g/mol
LogP3.16
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one (PubChem CID 51030959) has the molecular formula C17H12F2N4O3 and a molecular weight of 358.30 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one
PubChem CID51030959
Molecular FormulaC17H12F2N4O3
Molecular Weight358.30 g/mol
Exact Mass358.09
IUPAC Name1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one
SMILESO=C1NCC(c2ccc3c(c2)OC(F)(F)O3)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H12F2N4O3/c18-17(19)25-14-4-1-9(5-15(14)26-17)13-7-20-16(24)23(13)10-2-3-11-12(6-10)22-8-21-11/h1-6,8,13H,7H2,(H,20,24)(H,21,22)
InChIKeyYQYZHMRBCDCVOR-UHFFFAOYSA-N
XLogP3.16
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one (CID 51030959) is 1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one is O=C1NCC(c2ccc3c(c2)OC(F)(F)O3)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one?
The InChIKey is YQYZHMRBCDCVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3/c18-17(19)25-14-4-1-9(5-15(14)26-17)13-7-20-16(24)23(13)10-2-3-11-12(6-10)22-8-21-11/h1-6,8,13H,7H2,(H,20,24)(H,21,22).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one has a molecular weight of 358.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazolidin-2-one is sourced from PubChem (CID 51030959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).