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

C14H9ClF2N2O — CID 5276377

IUPAC5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1Cc1c(F)cccc1F
InChIInChI=1S/C14H9ClF2N2O/c15-8-4-5-12-13(6-8)19(14(20)18-12)7-9-10(16)2-1-3-11(9)17/h1-6H,7H2,(H,18,20)
InChIKeyYMOMBCSJYZNOLD-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.31
Rot. Bonds2

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

5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 5276377) has the molecular formula C14H9ClF2N2O and a molecular weight of 294.69 g/mol. Its IUPAC name is 5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
PubChem CID5276377
Molecular FormulaC14H9ClF2N2O
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1Cc1c(F)cccc1F
InChIInChI=1S/C14H9ClF2N2O/c15-8-4-5-12-13(6-8)19(14(20)18-12)7-9-10(16)2-1-3-11(9)17/h1-6H,7H2,(H,18,20)
InChIKeyYMOMBCSJYZNOLD-UHFFFAOYSA-N
XLogP3.31
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one (CID 5276377) is 5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccc(Cl)cc2n1Cc1c(F)cccc1F.
What is the InChIKey of 5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is YMOMBCSJYZNOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O/c15-8-4-5-12-13(6-8)19(14(20)18-12)7-9-10(16)2-1-3-11(9)17/h1-6H,7H2,(H,18,20).
What are the key properties of 5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one?
5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 294.69 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 5276377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).