1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole

C16H20FN3 — CID 83058757

IUPAC1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole
SMILESCCC1(c2nc3ccc(F)cc3n2C2CC2)CCCN1
InChIInChI=1S/C16H20FN3/c1-2-16(8-3-9-18-16)15-19-13-7-4-11(17)10-14(13)20(15)12-5-6-12/h4,7,10,12,18H,2-3,5-6,8-9H2,1H3
InChIKeyWTCXLIYBJRORHJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.50
Rot. Bonds3

About 1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole

1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole (PubChem CID 83058757) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole
PubChem CID83058757
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole
SMILESCCC1(c2nc3ccc(F)cc3n2C2CC2)CCCN1
InChIInChI=1S/C16H20FN3/c1-2-16(8-3-9-18-16)15-19-13-7-4-11(17)10-14(13)20(15)12-5-6-12/h4,7,10,12,18H,2-3,5-6,8-9H2,1H3
InChIKeyWTCXLIYBJRORHJ-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
CID 83058754
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63134818
1-cyclopropyl-2-(3-ethylpiperidin-3-yl)-5-fluorobenzimidazole
CID 63133597
[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)oxan-4-yl]methanamine
CID 115438879
ethyl 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480052
1-cyclopropyl-5-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144709
1-cyclopropyl-2-(diethoxymethyl)-6-fluorobenzimidazole
CID 63772330
4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole
CID 83079758
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427820
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole?
The IUPAC name of 1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole (CID 83058757) is 1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole?
The canonical SMILES for 1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole is CCC1(c2nc3ccc(F)cc3n2C2CC2)CCCN1.
What is the InChIKey of 1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole?
The InChIKey is WTCXLIYBJRORHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-2-16(8-3-9-18-16)15-19-13-7-4-11(17)10-14(13)20(15)12-5-6-12/h4,7,10,12,18H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole?
1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole has a molecular weight of 273.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)-6-fluorobenzimidazole is sourced from PubChem (CID 83058757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).