5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine

C15H15FN4 — CID 63262376

IUPAC5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
SMILESCCCn1c(-c2ccc(N)nc2)nc2cc(F)ccc21
InChIInChI=1S/C15H15FN4/c1-2-7-20-13-5-4-11(16)8-12(13)19-15(20)10-3-6-14(17)18-9-10/h3-6,8-9H,2,7H2,1H3,(H2,17,18)
InChIKeyJWNRDUHHUJDSPL-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.23
Rot. Bonds3

About 5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine

5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine (PubChem CID 63262376) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
PubChem CID63262376
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
SMILESCCCn1c(-c2ccc(N)nc2)nc2cc(F)ccc21
InChIInChI=1S/C15H15FN4/c1-2-7-20-13-5-4-11(16)8-12(13)19-15(20)10-3-6-14(17)18-9-10/h3-6,8-9H,2,7H2,1H3,(H2,17,18)
InChIKeyJWNRDUHHUJDSPL-UHFFFAOYSA-N
XLogP3.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine (CID 63262376) is 5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine is CCCn1c(-c2ccc(N)nc2)nc2cc(F)ccc21.
What is the InChIKey of 5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine?
The InChIKey is JWNRDUHHUJDSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-2-7-20-13-5-4-11(16)8-12(13)19-15(20)10-3-6-14(17)18-9-10/h3-6,8-9H,2,7H2,1H3,(H2,17,18).
What are the key properties of 5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine?
5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine has a molecular weight of 270.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 63262376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).