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

C23H17N5O — CID 122433363

IUPAC(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile
SMILESCc1ccc2c(oc3ncccc32)c1N1c2c(C#N)cc(C#N)cc2N(C)[C@@H]1C
InChIInChI=1S/C23H17N5O/c1-13-6-7-17-18-5-4-8-26-23(18)29-22(17)20(13)28-14(2)27(3)19-10-15(11-24)9-16(12-25)21(19)28/h4-10,14H,1-3H3/t14-/m0/s1
InChIKeyOPGOOAOZKNHVKH-AWEZNQCLSA-N
MW379.42 g/mol
LogP4.97
Rot. Bonds1

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

(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile (PubChem CID 122433363) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile
PubChem CID122433363
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile
SMILESCc1ccc2c(oc3ncccc32)c1N1c2c(C#N)cc(C#N)cc2N(C)[C@@H]1C
InChIInChI=1S/C23H17N5O/c1-13-6-7-17-18-5-4-8-26-23(18)29-22(17)20(13)28-14(2)27(3)19-10-15(11-24)9-16(12-25)21(19)28/h4-10,14H,1-3H3/t14-/m0/s1
InChIKeyOPGOOAOZKNHVKH-AWEZNQCLSA-N
XLogP4.97
TPSA80.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile?
The IUPAC name of (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile (CID 122433363) is (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile?
The canonical SMILES for (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile is Cc1ccc2c(oc3ncccc32)c1N1c2c(C#N)cc(C#N)cc2N(C)[C@@H]1C.
What is the InChIKey of (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile?
The InChIKey is OPGOOAOZKNHVKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H17N5O/c1-13-6-7-17-18-5-4-8-26-23(18)29-22(17)20(13)28-14(2)27(3)19-10-15(11-24)9-16(12-25)21(19)28/h4-10,14H,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile?
(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile has a molecular weight of 379.42 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile is sourced from PubChem (CID 122433363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).