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

C41H36N4O — CID 156668369

IUPAC2-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
SMILESCc1ccc2c(n1)oc1cccc(-c3nc4ccnc(C)c4n3-c3c(C(C)C)cc(-c4ccc5ccccc5c4)cc3C(C)C)c12
InChIInChI=1S/C41H36N4O/c1-23(2)33-21-30(29-16-15-27-10-7-8-11-28(27)20-29)22-34(24(3)4)39(33)45-38-26(6)42-19-18-35(38)44-40(45)31-12-9-13-36-37(31)32-17-14-25(5)43-41(32)46-36/h7-24H,1-6H3
InChIKeyQKNCBCWENAPSRO-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.07
Rot. Bonds5

About 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

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 (PubChem CID 156668369) has the molecular formula C41H36N4O and a molecular weight of 600.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID156668369
Molecular FormulaC41H36N4O
Molecular Weight600.77 g/mol
Exact Mass600.29
IUPAC Name2-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
SMILESCc1ccc2c(n1)oc1cccc(-c3nc4ccnc(C)c4n3-c3c(C(C)C)cc(-c4ccc5ccccc5c4)cc3C(C)C)c12
InChIInChI=1S/C41H36N4O/c1-23(2)33-21-30(29-16-15-27-10-7-8-11-28(27)20-29)22-34(24(3)4)39(33)45-38-26(6)42-19-18-35(38)44-40(45)31-12-9-13-36-37(31)32-17-14-25(5)43-41(32)46-36/h7-24H,1-6H3
InChIKeyQKNCBCWENAPSRO-UHFFFAOYSA-N
XLogP11.07
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
7-methyl-2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176817261
[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
[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
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
2-bromo-4-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 139269920
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624347
2-dibenzofuran-2-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole
CID 156658880
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
3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline
CID 164826222
6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine
CID 164825526
2-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-5-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624399

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(n1)oc1cccc(-c3nc4ccnc(C)c4n3-c3c(C(C)C)cc(-c4ccc5ccccc5c4)cc3C(C)C)c12.
What is the InChIKey of 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?
The InChIKey is QKNCBCWENAPSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N4O/c1-23(2)33-21-30(29-16-15-27-10-7-8-11-28(27)20-29)22-34(24(3)4)39(33)45-38-26(6)42-19-18-35(38)44-40(45)31-12-9-13-36-37(31)32-17-14-25(5)43-41(32)46-36/h7-24H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 600.77 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156668369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).