8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

C47H52N6O2 — CID 165060179

IUPAC8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C=CN(C)[C@@H]3C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C=CN(c4c(C(C)C)cccc4C(C)C)[C@@H]3C)c(C)ccc12
InChIInChI=1S/C29H33N3O.C18H19N3O/c1-17(2)22-9-8-10-23(18(3)4)27(22)32-16-15-31(21(32)7)26-19(5)11-13-24-25-14-12-20(6)30-29(25)33-28(24)26;1-11-5-7-14-15-8-6-12(2)19-18(15)22-17(14)16(11)21-10-9-20(4)13(21)3/h8-18,21H,1-7H3;5-10,13H,1-4H3/t21-;13-/m10/s1
InChIKeyRBMTVGIWIBXSJO-AQNMLIFMSA-N
MW732.97 g/mol
LogP12.16
Rot. Bonds5

About 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 165060179) has the molecular formula C47H52N6O2 and a molecular weight of 732.97 g/mol. Its IUPAC name is 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID165060179
Molecular FormulaC47H52N6O2
Molecular Weight732.97 g/mol
Exact Mass732.42
IUPAC Name8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C=CN(C)[C@@H]3C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C=CN(c4c(C(C)C)cccc4C(C)C)[C@@H]3C)c(C)ccc12
InChIInChI=1S/C29H33N3O.C18H19N3O/c1-17(2)22-9-8-10-23(18(3)4)27(22)32-16-15-31(21(32)7)26-19(5)11-13-24-25-14-12-20(6)30-29(25)33-28(24)26;1-11-5-7-14-15-8-6-12(2)19-18(15)22-17(14)16(11)21-10-9-20(4)13(21)3/h8-18,21H,1-7H3;5-10,13H,1-4H3/t21-;13-/m10/s1
InChIKeyRBMTVGIWIBXSJO-AQNMLIFMSA-N
XLogP12.16
TPSA65.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2-methyl-3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2-methyl-3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;8-[3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 162296556
1-(3,6-dimethyldibenzofuran-4-yl)-2,3-dimethyl-2H-imidazole
CID 130343444
8-[(2S)-3-cyclopentyl-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 118083710
(2S)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;(2R)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;1-(2-methylphenyl)indazole
CID 158586610
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-(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
8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(2,3-dimethyl-2H-benzimidazol-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,3-dimethyl-2H-imidazol-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2-methyl-3-propan-2-yl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 162296476
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
7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118074684
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 159664434
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

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 165060179) is 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(N3C=CN(C)[C@@H]3C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C=CN(c4c(C(C)C)cccc4C(C)C)[C@@H]3C)c(C)ccc12.
What is the InChIKey of 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is RBMTVGIWIBXSJO-AQNMLIFMSA-N. The full InChI is InChI=1S/C29H33N3O.C18H19N3O/c1-17(2)22-9-8-10-23(18(3)4)27(22)32-16-15-31(21(32)7)26-19(5)11-13-24-25-14-12-20(6)30-29(25)33-28(24)26;1-11-5-7-14-15-8-6-12(2)19-18(15)22-17(14)16(11)21-10-9-20(4)13(21)3/h8-18,21H,1-7H3;5-10,13H,1-4H3/t21-;13-/m10/s1.
What are the key properties of 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 732.97 g/mol, XLogP of 12.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 165060179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).