6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole

C16H21FN4 — CID 103295247

IUPAC6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
SMILESFc1ccc2nc(N3CCC(C4CCCN4)CC3)[nH]c2c1
InChIInChI=1S/C16H21FN4/c17-12-3-4-14-15(10-12)20-16(19-14)21-8-5-11(6-9-21)13-2-1-7-18-13/h3-4,10-11,13,18H,1-2,5-9H2,(H,19,20)
InChIKeyWSGDYZSUAFRJIJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.67
Rot. Bonds2

About 6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole

6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole (PubChem CID 103295247) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
PubChem CID103295247
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
SMILESFc1ccc2nc(N3CCC(C4CCCN4)CC3)[nH]c2c1
InChIInChI=1S/C16H21FN4/c17-12-3-4-14-15(10-12)20-16(19-14)21-8-5-11(6-9-21)13-2-1-7-18-13/h3-4,10-11,13,18H,1-2,5-9H2,(H,19,20)
InChIKeyWSGDYZSUAFRJIJ-UHFFFAOYSA-N
XLogP2.67
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole (CID 103295247) is 6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole is Fc1ccc2nc(N3CCC(C4CCCN4)CC3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole?
The InChIKey is WSGDYZSUAFRJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c17-12-3-4-14-15(10-12)20-16(19-14)21-8-5-11(6-9-21)13-2-1-7-18-13/h3-4,10-11,13,18H,1-2,5-9H2,(H,19,20).
What are the key properties of 6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole?
6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole has a molecular weight of 288.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 103295247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).