6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine

C37H25N3O — CID 156668014

IUPAC6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCc1cnc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)cccc12
InChIInChI=1S/C37H25N3O/c1-24-21-34-35(38-23-24)28-15-10-16-29(36(28)41-34)37-39-31-17-8-9-18-33(31)40(37)32-20-19-27(25-11-4-2-5-12-25)22-30(32)26-13-6-3-7-14-26/h2-23H,1H3
InChIKeyWMNAANWQJZFSMR-UHFFFAOYSA-N
MW527.63 g/mol
LogP9.63
Rot. Bonds4

About 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine

6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 156668014) has the molecular formula C37H25N3O and a molecular weight of 527.63 g/mol. Its IUPAC name is 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine
PubChem CID156668014
Molecular FormulaC37H25N3O
Molecular Weight527.63 g/mol
Exact Mass527.20
IUPAC Name6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCc1cnc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)cccc12
InChIInChI=1S/C37H25N3O/c1-24-21-34-35(38-23-24)28-15-10-16-29(36(28)41-34)37-39-31-17-8-9-18-33(31)40(37)32-20-19-27(25-11-4-2-5-12-25)22-30(32)26-13-6-3-7-14-26/h2-23H,1H3
InChIKeyWMNAANWQJZFSMR-UHFFFAOYSA-N
XLogP9.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
6-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164826959
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-oxa-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 176823259
2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
2-(1-fluorodibenzofuran-4-yl)-1-(2-phenylphenyl)benzimidazole
CID 156659191
2-phenyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670352
8-[1-(4-phenylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156671868
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
6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 167387931
9-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1,3-bis(trideuteriomethyl)-[1]benzofuro[3,2-b][1,6]naphthyridine
CID 176823656
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 148971314

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine (CID 156668014) is 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine is Cc1cnc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)cccc12.
What is the InChIKey of 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is WMNAANWQJZFSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3O/c1-24-21-34-35(38-23-24)28-15-10-16-29(36(28)41-34)37-39-31-17-8-9-18-33(31)40(37)32-20-19-27(25-11-4-2-5-12-25)22-30(32)26-13-6-3-7-14-26/h2-23H,1H3.
What are the key properties of 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine?
6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 527.63 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-methyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 156668014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).