[5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine

C13H15FN4 — CID 114035505

IUPAC[5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cc(F)cnc1-n1cnc2c1CCCC2
InChIInChI=1S/C13H15FN4/c14-10-5-9(6-15)13(16-7-10)18-8-17-11-3-1-2-4-12(11)18/h5,7-8H,1-4,6,15H2
InChIKeyHCAHENFXQNDXJO-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.74
Rot. Bonds2

About [5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine

[5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine (PubChem CID 114035505) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is [5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine
PubChem CID114035505
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name[5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine
SMILESNCc1cc(F)cnc1-n1cnc2c1CCCC2
InChIInChI=1S/C13H15FN4/c14-10-5-9(6-15)13(16-7-10)18-8-17-11-3-1-2-4-12(11)18/h5,7-8H,1-4,6,15H2
InChIKeyHCAHENFXQNDXJO-UHFFFAOYSA-N
XLogP1.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine (CID 114035505) is [5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine is NCc1cc(F)cnc1-n1cnc2c1CCCC2.
What is the InChIKey of [5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine?
The InChIKey is HCAHENFXQNDXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-10-5-9(6-15)13(16-7-10)18-8-17-11-3-1-2-4-12(11)18/h5,7-8H,1-4,6,15H2.
What are the key properties of [5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine?
[5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine has a molecular weight of 246.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 114035505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).