6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one

C17H23FN4O — CID 70969353

IUPAC6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)CCNC1
InChIInChI=1S/C17H23FN4O/c1-17(6-7-19-11-17)21-8-4-13(5-9-21)22-15-3-2-12(18)10-14(15)20-16(22)23/h2-3,10,13,19H,4-9,11H2,1H3,(H,20,23)
InChIKeyRZXNPICWBHQNEU-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.86
Rot. Bonds2

About 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one

6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 70969353) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID70969353
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)CCNC1
InChIInChI=1S/C17H23FN4O/c1-17(6-7-19-11-17)21-8-4-13(5-9-21)22-15-3-2-12(18)10-14(15)20-16(22)23/h2-3,10,13,19H,4-9,11H2,1H3,(H,20,23)
InChIKeyRZXNPICWBHQNEU-UHFFFAOYSA-N
XLogP1.86
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 70969353) is 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one is CC1(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)CCNC1.
What is the InChIKey of 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is RZXNPICWBHQNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-17(6-7-19-11-17)21-8-4-13(5-9-21)22-15-3-2-12(18)10-14(15)20-16(22)23/h2-3,10,13,19H,4-9,11H2,1H3,(H,20,23).
What are the key properties of 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 318.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(3-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 70969353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).