3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile

C16H11FN4 — CID 121458994

IUPAC3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile
SMILESN#Cc1cc2c(cc1F)nc(-c1cccnc1)n2C1CC1
InChIInChI=1S/C16H11FN4/c17-13-7-14-15(6-11(13)8-18)21(12-3-4-12)16(20-14)10-2-1-5-19-9-10/h1-2,5-7,9,12H,3-4H2
InChIKeyZWYUFTKVUJBZNW-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.44
Rot. Bonds2

About 3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile

3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile (PubChem CID 121458994) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile
PubChem CID121458994
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile
SMILESN#Cc1cc2c(cc1F)nc(-c1cccnc1)n2C1CC1
InChIInChI=1S/C16H11FN4/c17-13-7-14-15(6-11(13)8-18)21(12-3-4-12)16(20-14)10-2-1-5-19-9-10/h1-2,5-7,9,12H,3-4H2
InChIKeyZWYUFTKVUJBZNW-UHFFFAOYSA-N
XLogP3.44
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile (CID 121458994) is 3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile is N#Cc1cc2c(cc1F)nc(-c1cccnc1)n2C1CC1.
What is the InChIKey of 3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile?
The InChIKey is ZWYUFTKVUJBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c17-13-7-14-15(6-11(13)8-18)21(12-3-4-12)16(20-14)10-2-1-5-19-9-10/h1-2,5-7,9,12H,3-4H2.
What are the key properties of 3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile?
3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile has a molecular weight of 278.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 121458994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).