2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone

C13H15FN4O — CID 103295091

IUPAC2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1nc2ccc(F)cc2[nH]1)N1CCCC1
InChIInChI=1S/C13H15FN4O/c14-9-3-4-10-11(7-9)17-13(16-10)15-8-12(19)18-5-1-2-6-18/h3-4,7H,1-2,5-6,8H2,(H2,15,16,17)
InChIKeyUPWPKYYIQIDPHG-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.74
Rot. Bonds3

About 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone

2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 103295091) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID103295091
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1nc2ccc(F)cc2[nH]1)N1CCCC1
InChIInChI=1S/C13H15FN4O/c14-9-3-4-10-11(7-9)17-13(16-10)15-8-12(19)18-5-1-2-6-18/h3-4,7H,1-2,5-6,8H2,(H2,15,16,17)
InChIKeyUPWPKYYIQIDPHG-UHFFFAOYSA-N
XLogP1.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103295108
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
2-(2-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113319310
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294689
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346
5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79771129
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
CID 103294871

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone (CID 103295091) is 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone is O=C(CNc1nc2ccc(F)cc2[nH]1)N1CCCC1.
What is the InChIKey of 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is UPWPKYYIQIDPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-9-3-4-10-11(7-9)17-13(16-10)15-8-12(19)18-5-1-2-6-18/h3-4,7H,1-2,5-6,8H2,(H2,15,16,17).
What are the key properties of 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 262.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 103295091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).