5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole

C17H24FN3 — CID 63144666

IUPAC5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3cc(F)ccc3n2C(C)C)CCNC1
InChIInChI=1S/C17H24FN3/c1-4-7-17(8-9-19-11-17)16-20-14-10-13(18)5-6-15(14)21(16)12(2)3/h5-6,10,12,19H,4,7-9,11H2,1-3H3
InChIKeyUAIHTSJLHPGGCU-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.79
Rot. Bonds4

About 5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole

5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole (PubChem CID 63144666) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole
PubChem CID63144666
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3cc(F)ccc3n2C(C)C)CCNC1
InChIInChI=1S/C17H24FN3/c1-4-7-17(8-9-19-11-17)16-20-14-10-13(18)5-6-15(14)21(16)12(2)3/h5-6,10,12,19H,4,7-9,11H2,1-3H3
InChIKeyUAIHTSJLHPGGCU-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole (CID 63144666) is 5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole is CCCC1(c2nc3cc(F)ccc3n2C(C)C)CCNC1.
What is the InChIKey of 5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The InChIKey is UAIHTSJLHPGGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-4-7-17(8-9-19-11-17)16-20-14-10-13(18)5-6-15(14)21(16)12(2)3/h5-6,10,12,19H,4,7-9,11H2,1-3H3.
What are the key properties of 5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole has a molecular weight of 289.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 63144666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).