4-fluoro-2-piperidin-4-yl-1H-benzimidazole

C12H14FN3 — CID 54592970

IUPAC4-fluoro-2-piperidin-4-yl-1H-benzimidazole
SMILESFc1cccc2[nH]c(C3CCNCC3)nc12
InChIInChI=1S/C12H14FN3/c13-9-2-1-3-10-11(9)16-12(15-10)8-4-6-14-7-5-8/h1-3,8,14H,4-7H2,(H,15,16)
InChIKeyOZFSPTBWTWLOJV-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.17
Rot. Bonds1

About 4-fluoro-2-piperidin-4-yl-1H-benzimidazole

4-fluoro-2-piperidin-4-yl-1H-benzimidazole (PubChem CID 54592970) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-fluoro-2-piperidin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2-piperidin-4-yl-1H-benzimidazole
PubChem CID54592970
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-fluoro-2-piperidin-4-yl-1H-benzimidazole
SMILESFc1cccc2[nH]c(C3CCNCC3)nc12
InChIInChI=1S/C12H14FN3/c13-9-2-1-3-10-11(9)16-12(15-10)8-4-6-14-7-5-8/h1-3,8,14H,4-7H2,(H,15,16)
InChIKeyOZFSPTBWTWLOJV-UHFFFAOYSA-N
XLogP2.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-piperidin-4-yl-1H-benzimidazole?
The IUPAC name of 4-fluoro-2-piperidin-4-yl-1H-benzimidazole (CID 54592970) is 4-fluoro-2-piperidin-4-yl-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-2-piperidin-4-yl-1H-benzimidazole?
The canonical SMILES for 4-fluoro-2-piperidin-4-yl-1H-benzimidazole is Fc1cccc2[nH]c(C3CCNCC3)nc12.
What is the InChIKey of 4-fluoro-2-piperidin-4-yl-1H-benzimidazole?
The InChIKey is OZFSPTBWTWLOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-9-2-1-3-10-11(9)16-12(15-10)8-4-6-14-7-5-8/h1-3,8,14H,4-7H2,(H,15,16).
What are the key properties of 4-fluoro-2-piperidin-4-yl-1H-benzimidazole?
4-fluoro-2-piperidin-4-yl-1H-benzimidazole has a molecular weight of 219.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-piperidin-4-yl-1H-benzimidazole is sourced from PubChem (CID 54592970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).