3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile

C20H14F3N5 — CID 2999296

IUPAC3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile
SMILESN#CCCn1nc(-c2ccccc2)cc1-n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C20H14F3N5/c21-20(22,23)19-25-15-9-4-5-10-17(15)28(19)18-13-16(14-7-2-1-3-8-14)26-27(18)12-6-11-24/h1-5,7-10,13H,6,12H2
InChIKeyADKQOIQFGWKBOU-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.82
Rot. Bonds4

About 3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile

3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile (PubChem CID 2999296) has the molecular formula C20H14F3N5 and a molecular weight of 381.36 g/mol. Its IUPAC name is 3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile
PubChem CID2999296
Molecular FormulaC20H14F3N5
Molecular Weight381.36 g/mol
Exact Mass381.12
IUPAC Name3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile
SMILESN#CCCn1nc(-c2ccccc2)cc1-n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C20H14F3N5/c21-20(22,23)19-25-15-9-4-5-10-17(15)28(19)18-13-16(14-7-2-1-3-8-14)26-27(18)12-6-11-24/h1-5,7-10,13H,6,12H2
InChIKeyADKQOIQFGWKBOU-UHFFFAOYSA-N
XLogP4.82
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile (CID 2999296) is 3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile is N#CCCn1nc(-c2ccccc2)cc1-n1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile?
The InChIKey is ADKQOIQFGWKBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5/c21-20(22,23)19-25-15-9-4-5-10-17(15)28(19)18-13-16(14-7-2-1-3-8-14)26-27(18)12-6-11-24/h1-5,7-10,13H,6,12H2.
What are the key properties of 3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile?
3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile has a molecular weight of 381.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-phenyl-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 2999296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).