3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile

C16H10F2N4 — CID 121458987

IUPAC3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
SMILESN#Cc1cc2c(cc1F)nc(-c1cncc(F)c1)n2C1CC1
InChIInChI=1S/C16H10F2N4/c17-11-3-10(7-20-8-11)16-21-14-5-13(18)9(6-19)4-15(14)22(16)12-1-2-12/h3-5,7-8,12H,1-2H2
InChIKeyWDGNUPYSACPMRO-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.58
Rot. Bonds2

About 3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile

3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile (PubChem CID 121458987) has the molecular formula C16H10F2N4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
PubChem CID121458987
Molecular FormulaC16H10F2N4
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Name3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
SMILESN#Cc1cc2c(cc1F)nc(-c1cncc(F)c1)n2C1CC1
InChIInChI=1S/C16H10F2N4/c17-11-3-10(7-20-8-11)16-21-14-5-13(18)9(6-19)4-15(14)22(16)12-1-2-12/h3-5,7-8,12H,1-2H2
InChIKeyWDGNUPYSACPMRO-UHFFFAOYSA-N
XLogP3.58
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.58
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-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile?
The IUPAC name of 3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile (CID 121458987) is 3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile is N#Cc1cc2c(cc1F)nc(-c1cncc(F)c1)n2C1CC1.
What is the InChIKey of 3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile?
The InChIKey is WDGNUPYSACPMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4/c17-11-3-10(7-20-8-11)16-21-14-5-13(18)9(6-19)4-15(14)22(16)12-1-2-12/h3-5,7-8,12H,1-2H2.
What are the key properties of 3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile?
3-cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile has a molecular weight of 296.28 g/mol, XLogP of 3.58, 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-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 121458987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).