4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile

C22H16F2N4O — CID 147518131

IUPAC4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile
SMILESCc1ccc2c(oc3ncccc32)c1N1c2cc(F)c(C#N)c(F)c2N(C)C1C
InChIInChI=1S/C22H16F2N4O/c1-11-6-7-13-14-5-4-8-26-22(14)29-21(13)19(11)28-12(2)27(3)20-17(28)9-16(23)15(10-25)18(20)24/h4-9,12H,1-3H3
InChIKeyFKPXPJDNCIYBAR-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.37
Rot. Bonds1

About 4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile

4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile (PubChem CID 147518131) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile
PubChem CID147518131
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile
SMILESCc1ccc2c(oc3ncccc32)c1N1c2cc(F)c(C#N)c(F)c2N(C)C1C
InChIInChI=1S/C22H16F2N4O/c1-11-6-7-13-14-5-4-8-26-22(14)29-21(13)19(11)28-12(2)27(3)20-17(28)9-16(23)15(10-25)18(20)24/h4-9,12H,1-3H3
InChIKeyFKPXPJDNCIYBAR-UHFFFAOYSA-N
XLogP5.37
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile?
The IUPAC name of 4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile (CID 147518131) is 4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile?
The canonical SMILES for 4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile is Cc1ccc2c(oc3ncccc32)c1N1c2cc(F)c(C#N)c(F)c2N(C)C1C.
What is the InChIKey of 4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile?
The InChIKey is FKPXPJDNCIYBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c1-11-6-7-13-14-5-4-8-26-22(14)29-21(13)19(11)28-12(2)27(3)20-17(28)9-16(23)15(10-25)18(20)24/h4-9,12H,1-3H3.
What are the key properties of 4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile?
4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile has a molecular weight of 390.39 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 147518131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).