7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

C20H23N3O — CID 118074684

IUPAC7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3ncccc32)c1N1C=CN(CC(C)C)[C@@H]1C
InChIInChI=1S/C20H23N3O/c1-13(2)12-22-10-11-23(15(22)4)18-14(3)7-8-16-17-6-5-9-21-20(17)24-19(16)18/h5-11,13,15H,12H2,1-4H3/t15-/m0/s1
InChIKeyBOSASAMWMICWJX-HNNXBMFYSA-N
MW321.42 g/mol
LogP4.88
Rot. Bonds3

About 7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 118074684) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID118074684
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3ncccc32)c1N1C=CN(CC(C)C)[C@@H]1C
InChIInChI=1S/C20H23N3O/c1-13(2)12-22-10-11-23(15(22)4)18-14(3)7-8-16-17-6-5-9-21-20(17)24-19(16)18/h5-11,13,15H,12H2,1-4H3/t15-/m0/s1
InChIKeyBOSASAMWMICWJX-HNNXBMFYSA-N
XLogP4.88
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 118083708
7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118083721
6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine
CID 118083730
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
7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 122492430
8-(3-tert-butyl-2-methyl-2H-benzimidazol-1-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 162296936
7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 162269283
2-(2-deuteriopropan-2-yl)-8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 118083747
7-methyl-8-[(2R)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 140884140
8-(2-ethyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 137448454
7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 159244173
(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,7-dicarbonitrile
CID 122433355

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 118074684) is 7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3ncccc32)c1N1C=CN(CC(C)C)[C@@H]1C.
What is the InChIKey of 7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is BOSASAMWMICWJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13(2)12-22-10-11-23(15(22)4)18-14(3)7-8-16-17-6-5-9-21-20(17)24-19(16)18/h5-11,13,15H,12H2,1-4H3/t15-/m0/s1.
What are the key properties of 7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 321.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 118074684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).