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

C23H17N5O — CID 122433355

IUPAC(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,7-dicarbonitrile
SMILESCc1ccc2c(oc3ncccc32)c1N1c2c(C#N)ccc(C#N)c2N(C)[C@@H]1C
InChIInChI=1S/C23H17N5O/c1-13-6-9-17-18-5-4-10-26-23(18)29-22(17)19(13)28-14(2)27(3)20-15(11-24)7-8-16(12-25)21(20)28/h4-10,14H,1-3H3/t14-/m0/s1
InChIKeyLIDBXFZFNLYUQJ-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-4,7-dicarbonitrile

(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,7-dicarbonitrile (PubChem CID 122433355) 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-4,7-dicarbonitrile.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,7-dicarbonitrile
PubChem CID122433355
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-4,7-dicarbonitrile
SMILESCc1ccc2c(oc3ncccc32)c1N1c2c(C#N)ccc(C#N)c2N(C)[C@@H]1C
InChIInChI=1S/C23H17N5O/c1-13-6-9-17-18-5-4-10-26-23(18)29-22(17)19(13)28-14(2)27(3)20-15(11-24)7-8-16(12-25)21(20)28/h4-10,14H,1-3H3/t14-/m0/s1
InChIKeyLIDBXFZFNLYUQJ-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

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

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Related Compounds

2-methyl-N-pyridin-3-yl-6,7-dihydrofuro[2,3-f]indole-5-carboxamide
CID 44212938
N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine
CID 118074708
(2S)-4,6-difluoro-2,3-dimethyl-1-(6-methyl-[1]benzofuro[2,3-b]pyridin-7-yl)-2H-benzimidazole-5-carbonitrile
CID 122433391
(2S)-4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile
CID 122433398
N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine
CID 129107331
4,6-difluoro-2,3-dimethyl-1-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-5-carbonitrile
CID 147518131
4,6-difluoro-2,3-dimethyl-1-(6-methyl-[1]benzofuro[2,3-b]pyridin-7-yl)-2H-benzimidazole-5-carbonitrile
CID 152883834
8-[(2S)-4,6-difluoro-5-isocyano-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153430413
2,4-Difluoro-7-methyl-8-(1-methylpyrido[2,3-b]indol-1-ium-9-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464278
(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazine
CID 153464280
(2S)-3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 153464291
2-Fluoro-7-methyl-8-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464333

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-4,7-dicarbonitrile?
The IUPAC name of (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,7-dicarbonitrile (CID 122433355) is (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,7-dicarbonitrile.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,7-dicarbonitrile?
The canonical SMILES for (2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,7-dicarbonitrile is Cc1ccc2c(oc3ncccc32)c1N1c2c(C#N)ccc(C#N)c2N(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-4,7-dicarbonitrile?
The InChIKey is LIDBXFZFNLYUQJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H17N5O/c1-13-6-9-17-18-5-4-10-26-23(18)29-22(17)19(13)28-14(2)27(3)20-15(11-24)7-8-16(12-25)21(20)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-4,7-dicarbonitrile?
(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,7-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-4,7-dicarbonitrile is sourced from PubChem (CID 122433355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).