3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one

C10H8F2N2O — CID 83415043

IUPAC3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)c(F)c2n1C1CC1
InChIInChI=1S/C10H8F2N2O/c11-6-3-4-7-9(8(6)12)14(5-1-2-5)10(15)13-7/h3-5H,1-2H2,(H,13,15)
InChIKeyVCEWWKDRQDZFDA-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.94
Rot. Bonds1

About 3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one

3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one (PubChem CID 83415043) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one
PubChem CID83415043
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)c(F)c2n1C1CC1
InChIInChI=1S/C10H8F2N2O/c11-6-3-4-7-9(8(6)12)14(5-1-2-5)10(15)13-7/h3-5H,1-2H2,(H,13,15)
InChIKeyVCEWWKDRQDZFDA-UHFFFAOYSA-N
XLogP1.94
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one (CID 83415043) is 3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one is O=c1[nH]c2ccc(F)c(F)c2n1C1CC1.
What is the InChIKey of 3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one?
The InChIKey is VCEWWKDRQDZFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c11-6-3-4-7-9(8(6)12)14(5-1-2-5)10(15)13-7/h3-5H,1-2H2,(H,13,15).
What are the key properties of 3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one?
3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one has a molecular weight of 210.18 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 83415043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).