4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole

C17H24FN3 — CID 63144070

IUPAC4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCn1c(C2(CCC)CCNC2)nc2c(F)cccc21
InChIInChI=1S/C17H24FN3/c1-3-8-17(9-10-19-12-17)16-20-15-13(18)6-5-7-14(15)21(16)11-4-2/h5-7,19H,3-4,8-12H2,1-2H3
InChIKeyDXOZQUSZIPTQSV-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.62
Rot. Bonds5

About 4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole

4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole (PubChem CID 63144070) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
PubChem CID63144070
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCn1c(C2(CCC)CCNC2)nc2c(F)cccc21
InChIInChI=1S/C17H24FN3/c1-3-8-17(9-10-19-12-17)16-20-15-13(18)6-5-7-14(15)21(16)11-4-2/h5-7,19H,3-4,8-12H2,1-2H3
InChIKeyDXOZQUSZIPTQSV-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole (CID 63144070) is 4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole is CCCn1c(C2(CCC)CCNC2)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The InChIKey is DXOZQUSZIPTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-3-8-17(9-10-19-12-17)16-20-15-13(18)6-5-7-14(15)21(16)11-4-2/h5-7,19H,3-4,8-12H2,1-2H3.
What are the key properties of 4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole has a molecular weight of 289.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 63144070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).