2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile

C13H8FN5 — CID 118938390

IUPAC2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(-c3ccc(F)cn3)c2c1
InChIInChI=1S/C13H8FN5/c14-9-2-4-12(17-7-9)19-11-5-8(6-15)1-3-10(11)18-13(19)16/h1-5,7H,(H2,16,18)
InChIKeyNMZRSXDQSZKKEA-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.01
Rot. Bonds1

About 2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile

2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile (PubChem CID 118938390) has the molecular formula C13H8FN5 and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
PubChem CID118938390
Molecular FormulaC13H8FN5
Molecular Weight253.24 g/mol
Exact Mass253.08
IUPAC Name2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(-c3ccc(F)cn3)c2c1
InChIInChI=1S/C13H8FN5/c14-9-2-4-12(17-7-9)19-11-5-8(6-15)1-3-10(11)18-13(19)16/h1-5,7H,(H2,16,18)
InChIKeyNMZRSXDQSZKKEA-UHFFFAOYSA-N
XLogP2.01
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile (CID 118938390) is 2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile is N#Cc1ccc2nc(N)n(-c3ccc(F)cn3)c2c1.
What is the InChIKey of 2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile?
The InChIKey is NMZRSXDQSZKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5/c14-9-2-4-12(17-7-9)19-11-5-8(6-15)1-3-10(11)18-13(19)16/h1-5,7H,(H2,16,18).
What are the key properties of 2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile?
2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile has a molecular weight of 253.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 118938390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).