6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one

C11H12FN3O — CID 117207211

IUPAC6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1C1CCCN1
InChIInChI=1S/C11H12FN3O/c12-7-3-4-9-8(6-7)14-11(16)15(9)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2,(H,14,16)
InChIKeySBYAVOGWRAISET-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.35
Rot. Bonds1

About 6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one

6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one (PubChem CID 117207211) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
PubChem CID117207211
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1C1CCCN1
InChIInChI=1S/C11H12FN3O/c12-7-3-4-9-8(6-7)14-11(16)15(9)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2,(H,14,16)
InChIKeySBYAVOGWRAISET-UHFFFAOYSA-N
XLogP1.35
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
CID 117207966
3-(1,1-dioxothian-3-yl)-6-fluoro-1H-benzimidazol-2-one
CID 117207164
6-fluoro-3-[1-[(3S)-pyrrolidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 141196679
7-fluoro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262903
3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262896
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 70969353
methyl 3-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)cyclobutane-1-carboxylate
CID 135182945
6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 110491161
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 3678291
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one (CID 117207211) is 6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one is O=c1[nH]c2cc(F)ccc2n1C1CCCN1.
What is the InChIKey of 6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one?
The InChIKey is SBYAVOGWRAISET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-7-3-4-9-8(6-7)14-11(16)15(9)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2,(H,14,16).
What are the key properties of 6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one?
6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one has a molecular weight of 221.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 117207211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).