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

C8H6F2N2O — CID 83415019

IUPAC4,5-difluoro-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(F)c(F)c21
InChIInChI=1S/C8H6F2N2O/c1-12-7-5(11-8(12)13)3-2-4(9)6(7)10/h2-3H,1H3,(H,11,13)
InChIKeyBNYOSGCFQQMGHK-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.14
Rot. Bonds

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

4,5-difluoro-3-methyl-1H-benzimidazol-2-one (PubChem CID 83415019) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 4,5-difluoro-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4,5-difluoro-3-methyl-1H-benzimidazol-2-one
PubChem CID83415019
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name4,5-difluoro-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(F)c(F)c21
InChIInChI=1S/C8H6F2N2O/c1-12-7-5(11-8(12)13)3-2-4(9)6(7)10/h2-3H,1H3,(H,11,13)
InChIKeyBNYOSGCFQQMGHK-UHFFFAOYSA-N
XLogP1.14
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 4,5-difluoro-3-methyl-1H-benzimidazol-2-one (CID 83415019) is 4,5-difluoro-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 4,5-difluoro-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 4,5-difluoro-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2ccc(F)c(F)c21.
What is the InChIKey of 4,5-difluoro-3-methyl-1H-benzimidazol-2-one?
The InChIKey is BNYOSGCFQQMGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-12-7-5(11-8(12)13)3-2-4(9)6(7)10/h2-3H,1H3,(H,11,13).
What are the key properties of 4,5-difluoro-3-methyl-1H-benzimidazol-2-one?
4,5-difluoro-3-methyl-1H-benzimidazol-2-one has a molecular weight of 184.15 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 83415019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).