1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

C13H18FN3 — CID 54920104

IUPAC1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C13H18FN3/c1-4-10(15)13-16-11-7-9(14)5-6-12(11)17(13)8(2)3/h5-8,10H,4,15H2,1-3H3
InChIKeyCIXZQLNMXNPVMO-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.17
Rot. Bonds3

About 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (PubChem CID 54920104) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
PubChem CID54920104
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C13H18FN3/c1-4-10(15)13-16-11-7-9(14)5-6-12(11)17(13)8(2)3/h5-8,10H,4,15H2,1-3H3
InChIKeyCIXZQLNMXNPVMO-UHFFFAOYSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (CID 54920104) is 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is CCC(N)c1nc2cc(F)ccc2n1C(C)C.
What is the InChIKey of 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is CIXZQLNMXNPVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-4-10(15)13-16-11-7-9(14)5-6-12(11)17(13)8(2)3/h5-8,10H,4,15H2,1-3H3.
What are the key properties of 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 235.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 54920104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).