6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one

C10H9FN2O — CID 18677024

IUPAC6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one
SMILESC=C(C)n1c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C10H9FN2O/c1-6(2)13-9-4-3-7(11)5-8(9)12-10(13)14/h3-5H,1H2,2H3,(H,12,14)
InChIKeyZYPGCXIKOYDKAL-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.96
Rot. Bonds1

About 6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one

6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one (PubChem CID 18677024) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one
PubChem CID18677024
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one
SMILESC=C(C)n1c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C10H9FN2O/c1-6(2)13-9-4-3-7(11)5-8(9)12-10(13)14/h3-5H,1H2,2H3,(H,12,14)
InChIKeyZYPGCXIKOYDKAL-UHFFFAOYSA-N
XLogP1.96
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one (CID 18677024) is 6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one is C=C(C)n1c(=O)[nH]c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one?
The InChIKey is ZYPGCXIKOYDKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6(2)13-9-4-3-7(11)5-8(9)12-10(13)14/h3-5H,1H2,2H3,(H,12,14).
What are the key properties of 6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one?
6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one has a molecular weight of 192.19 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 18677024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).