6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine

C31H24N4O — CID 163454977

IUPAC6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ccc3oc4c(c3c2)CCCN4)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C31H24N4O/c1-19-15-21(20-12-13-29-24(18-20)23-7-6-14-32-30(23)36-29)17-22(16-19)34-27-10-4-5-11-28(27)35-26-9-3-2-8-25(26)33-31(34)35/h2-5,8-13,15-18,32H,6-7,14H2,1H3
InChIKeyBJQXSUNMPIZHSX-UHFFFAOYSA-N
MW468.56 g/mol
LogP7.51
Rot. Bonds2

About 6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine

6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine (PubChem CID 163454977) has the molecular formula C31H24N4O and a molecular weight of 468.56 g/mol. Its IUPAC name is 6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine
PubChem CID163454977
Molecular FormulaC31H24N4O
Molecular Weight468.56 g/mol
Exact Mass468.20
IUPAC Name6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ccc3oc4c(c3c2)CCCN4)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C31H24N4O/c1-19-15-21(20-12-13-29-24(18-20)23-7-6-14-32-30(23)36-29)17-22(16-19)34-27-10-4-5-11-28(27)35-26-9-3-2-8-25(26)33-31(34)35/h2-5,8-13,15-18,32H,6-7,14H2,1H3
InChIKeyBJQXSUNMPIZHSX-UHFFFAOYSA-N
XLogP7.51
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 88958893
5-[8-[4-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;(Z)-but-2-ene;prop-1-ene
CID 145276270
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248630
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329801
5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146532365
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
13-phenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646637
17-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene;4-(9-dibenzofuran-2-ylcarbazol-3-yl)-17-phenyl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 158372183
2-[3-[8-[3-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-2-methyl-2H-benzimidazol-1-yl]aniline
CID 163629359
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989

Frequently Asked Questions

What is the IUPAC name of 6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine (CID 163454977) is 6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2ccc3oc4c(c3c2)CCCN4)cc(-n2c3ccccc3n3c4ccccc4nc23)c1.
What is the InChIKey of 6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is BJQXSUNMPIZHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O/c1-19-15-21(20-12-13-29-24(18-20)23-7-6-14-32-30(23)36-29)17-22(16-19)34-27-10-4-5-11-28(27)35-26-9-3-2-8-25(26)33-31(34)35/h2-5,8-13,15-18,32H,6-7,14H2,1H3.
What are the key properties of 6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine?
6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 468.56 g/mol, XLogP of 7.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-methylphenyl]-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 163454977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).