2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine

C23H23N3O — CID 170184357

IUPAC2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3c4ccccc4N(C(C)C)C3C)cccc12
InChIInChI=1S/C23H23N3O/c1-14(2)25-16(4)26(20-10-6-5-9-19(20)25)21-11-7-8-17-18-13-12-15(3)24-23(18)27-22(17)21/h5-14,16H,1-4H3
InChIKeyOEKJOMRUVSMNLV-UHFFFAOYSA-N
MW357.46 g/mol
LogP6.00
Rot. Bonds2

About 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine

2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 170184357) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID170184357
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3c4ccccc4N(C(C)C)C3C)cccc12
InChIInChI=1S/C23H23N3O/c1-14(2)25-16(4)26(20-10-6-5-9-19(20)25)21-11-7-8-17-18-13-12-15(3)24-23(18)27-22(17)21/h5-14,16H,1-4H3
InChIKeyOEKJOMRUVSMNLV-UHFFFAOYSA-N
XLogP6.00
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-fluoro-7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464418
7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118083721
8-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 118085549
2,7-dimethyl-8-(2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 148769561
2-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 153303687
8-[(2R)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 158578666
7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 118074735
bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 162301832
2,7-dimethyl-8-[(2S)-2-methyl-1-propan-2-yl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-[1]benzofuro[2,3-b]pyridine
CID 152967807
2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 135243113
8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 162301796
2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 155607566

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine (CID 170184357) is 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(N3c4ccccc4N(C(C)C)C3C)cccc12.
What is the InChIKey of 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is OEKJOMRUVSMNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-14(2)25-16(4)26(20-10-6-5-9-19(20)25)21-11-7-8-17-18-13-12-15(3)24-23(18)27-22(17)21/h5-14,16H,1-4H3.
What are the key properties of 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 357.46 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 170184357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).