5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one

C13H16FN3O — CID 117208472

IUPAC5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)cc2n1CCN1CCCC1
InChIInChI=1S/C13H16FN3O/c14-10-3-4-11-12(9-10)17(13(18)15-11)8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2,(H,15,18)
InChIKeyORSISOPCGRJTGA-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.56
Rot. Bonds3

About 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one

5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one (PubChem CID 117208472) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
PubChem CID117208472
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)cc2n1CCN1CCCC1
InChIInChI=1S/C13H16FN3O/c14-10-3-4-11-12(9-10)17(13(18)15-11)8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2,(H,15,18)
InChIKeyORSISOPCGRJTGA-UHFFFAOYSA-N
XLogP1.56
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 21424815
5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208118
5-fluoro-3-(2-morpholin-4-ylethyl)-1H-benzimidazole-2-thione
CID 55067546
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206950
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 117208282
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
5,6-dichloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 21424827
3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one
CID 139785932
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-5-fluoro-1H-benzimidazol-2-one
CID 67474892
6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 117207686
3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
CID 14823436

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one (CID 117208472) is 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(F)cc2n1CCN1CCCC1.
What is the InChIKey of 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one?
The InChIKey is ORSISOPCGRJTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-10-3-4-11-12(9-10)17(13(18)15-11)8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2,(H,15,18).
What are the key properties of 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one?
5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one has a molecular weight of 249.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).