3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole

C26H18ClN3O — CID 167042883

IUPAC3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole
SMILESC=Cc1oc2c(-n3c4cc(Cl)ccc4n4c5ccccc5nc34)cccc2c1/C=C\C
InChIInChI=1S/C26H18ClN3O/c1-3-8-17-18-9-7-12-22(25(18)31-24(17)4-2)30-23-15-16(27)13-14-21(23)29-20-11-6-5-10-19(20)28-26(29)30/h3-15H,2H2,1H3/b8-3-
InChIKeyJQIDCBRIQPOGFA-BAQGIRSFSA-N
MW423.90 g/mol
LogP7.51
Rot. Bonds3

About 3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole

3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 167042883) has the molecular formula C26H18ClN3O and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID167042883
Molecular FormulaC26H18ClN3O
Molecular Weight423.90 g/mol
Exact Mass423.11
IUPAC Name3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole
SMILESC=Cc1oc2c(-n3c4cc(Cl)ccc4n4c5ccccc5nc34)cccc2c1/C=C\C
InChIInChI=1S/C26H18ClN3O/c1-3-8-17-18-9-7-12-22(25(18)31-24(17)4-2)30-23-15-16(27)13-14-21(23)29-20-11-6-5-10-19(20)28-26(29)30/h3-15H,2H2,1H3/b8-3-
InChIKeyJQIDCBRIQPOGFA-BAQGIRSFSA-N
XLogP7.51
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420268
8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine
CID 90090627
[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
CID 144640440
5-dibenzofuran-1-ylbenzimidazolo[1,2-a]benzimidazole
CID 121420234
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420272
5-[8-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole;5-[8-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole;5-[8-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 159498435
5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole
CID 138712378
2-[9-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 145283704
[4-[[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]methyl]phenyl]boronic acid
CID 145017061
2,6-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]benzonitrile;ethane
CID 145162378
5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146626082

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole (CID 167042883) is 3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole is C=Cc1oc2c(-n3c4cc(Cl)ccc4n4c5ccccc5nc34)cccc2c1/C=C\C.
What is the InChIKey of 3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is JQIDCBRIQPOGFA-BAQGIRSFSA-N. The full InChI is InChI=1S/C26H18ClN3O/c1-3-8-17-18-9-7-12-22(25(18)31-24(17)4-2)30-23-15-16(27)13-14-21(23)29-20-11-6-5-10-19(20)28-26(29)30/h3-15H,2H2,1H3/b8-3-.
What are the key properties of 3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole?
3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 423.90 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 167042883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).