6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide

C12H15BrFN3O — CID 22380614

IUPAC6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
SMILESBr.O=c1[nH]c2cc(F)ccc2n1C1CCNCC1
InChIInChI=1S/C12H14FN3O.BrH/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2,(H,15,17);1H
InChIKeyVYVLAJOQHSCJJA-UHFFFAOYSA-N
MW316.17 g/mol
LogP1.97
Rot. Bonds1

About 6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide

6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide (PubChem CID 22380614) has the molecular formula C12H15BrFN3O and a molecular weight of 316.17 g/mol. Its IUPAC name is 6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide.

Molecular Properties

Compound Name6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
PubChem CID22380614
Molecular FormulaC12H15BrFN3O
Molecular Weight316.17 g/mol
Exact Mass315.04
IUPAC Name6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
SMILESBr.O=c1[nH]c2cc(F)ccc2n1C1CCNCC1
InChIInChI=1S/C12H14FN3O.BrH/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2,(H,15,17);1H
InChIKeyVYVLAJOQHSCJJA-UHFFFAOYSA-N
XLogP1.97
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 51.97
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-1H-benzimidazol-2-one;hydrobromide?
The IUPAC name of 6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide (CID 22380614) is 6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide.
What is the SMILES notation for 6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
The canonical SMILES for 6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide is Br.O=c1[nH]c2cc(F)ccc2n1C1CCNCC1.
What is the InChIKey of 6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
The InChIKey is VYVLAJOQHSCJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O.BrH/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2,(H,15,17);1H.
What are the key properties of 6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide?
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide has a molecular weight of 316.17 g/mol, XLogP of 1.97, 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-1H-benzimidazol-2-one;hydrobromide is sourced from PubChem (CID 22380614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).