2,5-dimethyl-8-[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

C42H38N4O — CID 166498770

IUPAC2,5-dimethyl-8-[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
SMILESCc1ccc2c(n1)oc1c(-c3nc4ccnc(C)c4n3-c3c(C(C)C)cc(-c4ccc5ccccc5c4)cc3C(C)C)ccc(C)c12
InChIInChI=1S/C42H38N4O/c1-23(2)34-21-31(30-15-14-28-10-8-9-11-29(28)20-30)22-35(24(3)4)39(34)46-38-27(7)43-19-18-36(38)45-41(46)33-16-12-25(5)37-32-17-13-26(6)44-42(32)47-40(33)37/h8-24H,1-7H3
InChIKeyQTQWAFHTSQTAEP-UHFFFAOYSA-N
MW614.79 g/mol
LogP11.37
Rot. Bonds5

About 2,5-dimethyl-8-[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

2,5-dimethyl-8-[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 (PubChem CID 166498770) has the molecular formula C42H38N4O and a molecular weight of 614.79 g/mol. Its IUPAC name is 2,5-dimethyl-8-[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.

Molecular Properties

Compound Name2,5-dimethyl-8-[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
PubChem CID166498770
Molecular FormulaC42H38N4O
Molecular Weight614.79 g/mol
Exact Mass614.30
IUPAC Name2,5-dimethyl-8-[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
SMILESCc1ccc2c(n1)oc1c(-c3nc4ccnc(C)c4n3-c3c(C(C)C)cc(-c4ccc5ccccc5c4)cc3C(C)C)ccc(C)c12
InChIInChI=1S/C42H38N4O/c1-23(2)34-21-31(30-15-14-28-10-8-9-11-29(28)20-30)22-35(24(3)4)39(34)46-38-27(7)43-19-18-36(38)45-41(46)33-16-12-25(5)37-32-17-13-26(6)44-42(32)47-40(33)37/h8-24H,1-7H3
InChIKeyQTQWAFHTSQTAEP-UHFFFAOYSA-N
XLogP11.37
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-8-[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 with MolForge

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Related Compounds

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
1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 156669552
8-[4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2,5-bis(trideuteriomethyl)-[1]benzothiolo[2,3-b]pyridine
CID 156668544
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 166499277
2-(1-methyl-7-phenyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316049
1,3,5-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 156667608
[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;5-[4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-2-(trideuteriomethyl)-6H-[1]benzofuro[2,3-b]pyridin-6-ide
CID 176644269
2-(7-fluoro-1-methyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316047
2-tert-butyl-5-methyl-8-[1-(2,4,6-trimethylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668881
2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 156657144
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-8-yl]benzo[e]benzimidazole
CID 177303045
2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 139269920

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-8-[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?
The IUPAC name of 2,5-dimethyl-8-[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 166498770) is 2,5-dimethyl-8-[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.
What is the SMILES notation for 2,5-dimethyl-8-[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?
The canonical SMILES for 2,5-dimethyl-8-[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 is Cc1ccc2c(n1)oc1c(-c3nc4ccnc(C)c4n3-c3c(C(C)C)cc(-c4ccc5ccccc5c4)cc3C(C)C)ccc(C)c12.
What is the InChIKey of 2,5-dimethyl-8-[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?
The InChIKey is QTQWAFHTSQTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N4O/c1-23(2)34-21-31(30-15-14-28-10-8-9-11-29(28)20-30)22-35(24(3)4)39(34)46-38-27(7)43-19-18-36(38)45-41(46)33-16-12-25(5)37-32-17-13-26(6)44-42(32)47-40(33)37/h8-24H,1-7H3.
What are the key properties of 2,5-dimethyl-8-[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?
2,5-dimethyl-8-[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 has a molecular weight of 614.79 g/mol, XLogP of 11.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-8-[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 is sourced from PubChem (CID 166498770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).