4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile

C22H17FN4O — CID 46205687

IUPAC4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2ccncc2C#N)c1
InChIInChI=1S/C22H17FN4O/c1-22(2,28)15-3-6-21-20(9-15)26-13-27(21)16-4-5-19(23)18(10-16)17-7-8-25-12-14(17)11-24/h3-10,12-13,28H,1-2H3
InChIKeyWKWWUCDURKSXSF-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.33
Rot. Bonds3

About 4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile

4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile (PubChem CID 46205687) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile
PubChem CID46205687
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2ccncc2C#N)c1
InChIInChI=1S/C22H17FN4O/c1-22(2,28)15-3-6-21-20(9-15)26-13-27(21)16-4-5-19(23)18(10-16)17-7-8-25-12-14(17)11-24/h3-10,12-13,28H,1-2H3
InChIKeyWKWWUCDURKSXSF-UHFFFAOYSA-N
XLogP4.33
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile (CID 46205687) is 4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile is CC(C)(O)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2ccncc2C#N)c1.
What is the InChIKey of 4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile?
The InChIKey is WKWWUCDURKSXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-22(2,28)15-3-6-21-20(9-15)26-13-27(21)16-4-5-19(23)18(10-16)17-7-8-25-12-14(17)11-24/h3-10,12-13,28H,1-2H3.
What are the key properties of 4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile?
4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile has a molecular weight of 372.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 46205687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).