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

C25H16N4O — CID 118329801

IUPAC6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cnc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3c2c1
InChIInChI=1S/C25H16N4O/c1-15-12-18-17-13-16(10-11-23(17)30-24(18)26-14-15)28-21-8-4-5-9-22(21)29-20-7-3-2-6-19(20)27-25(28)29/h2-14H,1H3
InChIKeyGMTXXXJPVVMQOD-UHFFFAOYSA-N
MW388.43 g/mol
LogP6.03
Rot. Bonds1

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

6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 118329801) has the molecular formula C25H16N4O and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID118329801
Molecular FormulaC25H16N4O
Molecular Weight388.43 g/mol
Exact Mass388.13
IUPAC Name6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cnc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3c2c1
InChIInChI=1S/C25H16N4O/c1-15-12-18-17-13-16(10-11-23(17)30-24(18)26-14-15)28-21-8-4-5-9-22(21)29-20-7-3-2-6-19(20)27-25(28)29/h2-14H,1H3
InChIKeyGMTXXXJPVVMQOD-UHFFFAOYSA-N
XLogP6.03
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 123160029
6-carbazol-9-yl-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329821
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
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
2-carbazol-9-yl-6-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;3-carbazol-9-yl-9-(8-methyldibenzofuran-2-yl)carbazole;5-(8-methyldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole;9-(8-methyldibenzofuran-1-yl)carbazole;9-(8-methyldibenzofuran-2-yl)carbazole
CID 157203937
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-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole
CID 122468290
9-[8-(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-undecaen-17-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 122546258
5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole
CID 138712378
5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole
CID 161427199
17-dibenzofuran-2-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-4-carbonitrile
CID 122546212
5-[8-(9-phenyl-9H-fluoren-3-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 121445257

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine (CID 118329801) is 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine is Cc1cnc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3c2c1.
What is the InChIKey of 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is GMTXXXJPVVMQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O/c1-15-12-18-17-13-16(10-11-23(17)30-24(18)26-14-15)28-21-8-4-5-9-22(21)29-20-7-3-2-6-19(20)27-25(28)29/h2-14H,1H3.
What are the key properties of 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine?
6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 388.43 g/mol, XLogP of 6.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 118329801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).