7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine

C33H34N4O — CID 156672270

IUPAC7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc2nc(-c3ccc4c(c3)oc3nc(C)cc(C)c34)n(Cc3c(C(C)C)cccc3C(C)C)c2cn1
InChIInChI=1S/C33H34N4O/c1-18(2)24-9-8-10-25(19(3)4)27(24)17-37-29-16-34-21(6)14-28(29)36-32(37)23-11-12-26-30(15-23)38-33-31(26)20(5)13-22(7)35-33/h8-16,18-19H,17H2,1-7H3
InChIKeySHLFHWOCKUUBIX-UHFFFAOYSA-N
MW502.66 g/mol
LogP8.61
Rot. Bonds5

About 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine

7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156672270) has the molecular formula C33H34N4O and a molecular weight of 502.66 g/mol. Its IUPAC name is 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID156672270
Molecular FormulaC33H34N4O
Molecular Weight502.66 g/mol
Exact Mass502.27
IUPAC Name7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc2nc(-c3ccc4c(c3)oc3nc(C)cc(C)c34)n(Cc3c(C(C)C)cccc3C(C)C)c2cn1
InChIInChI=1S/C33H34N4O/c1-18(2)24-9-8-10-25(19(3)4)27(24)17-37-29-16-34-21(6)14-28(29)36-32(37)23-11-12-26-30(15-23)38-33-31(26)20(5)13-22(7)35-33/h8-16,18-19H,17H2,1-7H3
InChIKeySHLFHWOCKUUBIX-UHFFFAOYSA-N
XLogP8.61
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2,4-dimethyl-7-[1-(10-propan-2-ylphenanthren-9-yl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670735
[4-(2-deuteriopropan-2-yl)-6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-methyl-7-[1-[[4-phenyl-2,6-di(propan-2-yl)phenyl]methyl]benzimidazol-2-yl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide
CID 156668192
8-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,4,7-trimethyl-[1]benzofuro[2,3-b]pyridine
CID 140708275
2-(1-methyl-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316049
2-(2,6-dimethylphenyl)-5-methyl-8-[6-methyl-3-(10-propan-2-ylphenanthren-9-yl)imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156667515
4-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 161367305
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021034
2-methyl-5-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668369
[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium
CID 156669563
3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 156671387
1-propan-2-yl-7-triphenylen-2-yldibenzofuran
CID 164787333
4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;iridium
CID 164824932

Frequently Asked Questions

What is the IUPAC name of 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 156672270) is 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1cc2nc(-c3ccc4c(c3)oc3nc(C)cc(C)c34)n(Cc3c(C(C)C)cccc3C(C)C)c2cn1.
What is the InChIKey of 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is SHLFHWOCKUUBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O/c1-18(2)24-9-8-10-25(19(3)4)27(24)17-37-29-16-34-21(6)14-28(29)36-32(37)23-11-12-26-30(15-23)38-33-31(26)20(5)13-22(7)35-33/h8-16,18-19H,17H2,1-7H3.
What are the key properties of 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine?
7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 502.66 g/mol, XLogP of 8.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[2,6-di(propan-2-yl)phenyl]methyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2,4-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156672270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).