3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one

C15H12F2N2O — CID 44578740

IUPAC3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(Cc3c(F)cccc3F)c2c1
InChIInChI=1S/C15H12F2N2O/c1-9-5-6-13-14(7-9)19(15(20)18-13)8-10-11(16)3-2-4-12(10)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyNSSKCDQINHNJRN-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.96
Rot. Bonds2

About 3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one

3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one (PubChem CID 44578740) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one
PubChem CID44578740
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(Cc3c(F)cccc3F)c2c1
InChIInChI=1S/C15H12F2N2O/c1-9-5-6-13-14(7-9)19(15(20)18-13)8-10-11(16)3-2-4-12(10)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyNSSKCDQINHNJRN-UHFFFAOYSA-N
XLogP2.96
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one (CID 44578740) is 3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(Cc3c(F)cccc3F)c2c1.
What is the InChIKey of 3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one?
The InChIKey is NSSKCDQINHNJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-9-5-6-13-14(7-9)19(15(20)18-13)8-10-11(16)3-2-4-12(10)17/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one?
3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one has a molecular weight of 274.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methyl]-5-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 44578740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).