3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile

C26H16N4O2 — CID 59326958

IUPAC3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C26H16N4O2/c27-16-17-5-3-6-19(15-17)21-7-4-14-28-26(21)32-20-12-10-18(11-13-20)24(31)25-29-22-8-1-2-9-23(22)30-25/h1-15H,(H,29,30)
InChIKeyRUUYCBPQEDKWIK-UHFFFAOYSA-N
MW416.44 g/mol
LogP5.52
Rot. Bonds5

About 3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile

3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile (PubChem CID 59326958) has the molecular formula C26H16N4O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile
PubChem CID59326958
Molecular FormulaC26H16N4O2
Molecular Weight416.44 g/mol
Exact Mass416.13
IUPAC Name3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C26H16N4O2/c27-16-17-5-3-6-19(15-17)21-7-4-14-28-26(21)32-20-12-10-18(11-13-20)24(31)25-29-22-8-1-2-9-23(22)30-25/h1-15H,(H,29,30)
InChIKeyRUUYCBPQEDKWIK-UHFFFAOYSA-N
XLogP5.52
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327120
1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326971
1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326938
1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326779
1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327036
1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326807
1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen
CID 143998309
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 46207821
1H-benzimidazol-2-yl-[4-[(3-octan-3-yl-2-pyridinyl)oxy]phenyl]methanone
CID 91146087
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 59326842

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile?
The IUPAC name of 3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile (CID 59326958) is 3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile?
The canonical SMILES for 3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile is N#Cc1cccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of 3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile?
The InChIKey is RUUYCBPQEDKWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4O2/c27-16-17-5-3-6-19(15-17)21-7-4-14-28-26(21)32-20-12-10-18(11-13-20)24(31)25-29-22-8-1-2-9-23(22)30-25/h1-15H,(H,29,30).
What are the key properties of 3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile?
3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile has a molecular weight of 416.44 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 59326958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).