1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine

C14H17FN4 — CID 55068116

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2ccc(F)cc2n1C1CCN(C2CC2)C1
InChIInChI=1S/C14H17FN4/c15-9-1-4-12-13(7-9)19(14(16)17-12)11-5-6-18(8-11)10-2-3-10/h1,4,7,10-11H,2-3,5-6,8H2,(H2,16,17)
InChIKeyMAYKUWWUJOZESE-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.17
Rot. Bonds2

About 1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine

1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine (PubChem CID 55068116) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine
PubChem CID55068116
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2ccc(F)cc2n1C1CCN(C2CC2)C1
InChIInChI=1S/C14H17FN4/c15-9-1-4-12-13(7-9)19(14(16)17-12)11-5-6-18(8-11)10-2-3-10/h1,4,7,10-11H,2-3,5-6,8H2,(H2,16,17)
InChIKeyMAYKUWWUJOZESE-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine (CID 55068116) is 1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine is Nc1nc2ccc(F)cc2n1C1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine?
The InChIKey is MAYKUWWUJOZESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c15-9-1-4-12-13(7-9)19(14(16)17-12)11-5-6-18(8-11)10-2-3-10/h1,4,7,10-11H,2-3,5-6,8H2,(H2,16,17).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine?
1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine has a molecular weight of 260.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 55068116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).