6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one

C12H16FN3O — CID 70319588

IUPAC6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(n1C1CCNCC1)C=CC(F)C2
InChIInChI=1S/C12H16FN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,8-9,14H,3-7H2,(H,15,17)
InChIKeyPLRZXLVHQHBWPZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.01
Rot. Bonds1

About 6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one

6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one (PubChem CID 70319588) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one
PubChem CID70319588
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(n1C1CCNCC1)C=CC(F)C2
InChIInChI=1S/C12H16FN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,8-9,14H,3-7H2,(H,15,17)
InChIKeyPLRZXLVHQHBWPZ-UHFFFAOYSA-N
XLogP1.01
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one (CID 70319588) is 6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one is O=c1[nH]c2c(n1C1CCNCC1)C=CC(F)C2.
What is the InChIKey of 6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one?
The InChIKey is PLRZXLVHQHBWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,8-9,14H,3-7H2,(H,15,17).
What are the key properties of 6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one?
6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one has a molecular weight of 237.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-piperidin-4-yl-6,7-dihydro-1H-benzimidazol-2-one is sourced from PubChem (CID 70319588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).