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

C24H17N3O — CID 138712378

IUPAC5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole
SMILESC/C=C\c1coc2ccc(-n3c4ccccc4n4c5ccccc5nc34)cc12
InChIInChI=1S/C24H17N3O/c1-2-7-16-15-28-23-13-12-17(14-18(16)23)26-21-10-5-6-11-22(21)27-20-9-4-3-8-19(20)25-24(26)27/h2-15H,1H3/b7-2-
InChIKeyRRWCGCPFYSAGMB-UQCOIBPSSA-N
MW363.42 g/mol
LogP6.21
Rot. Bonds2

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

5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 138712378) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID138712378
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole
SMILESC/C=C\c1coc2ccc(-n3c4ccccc4n4c5ccccc5nc34)cc12
InChIInChI=1S/C24H17N3O/c1-2-7-16-15-28-23-13-12-17(14-18(16)23)26-21-10-5-6-11-22(21)27-20-9-4-3-8-19(20)25-24(26)27/h2-15H,1H3/b7-2-
InChIKeyRRWCGCPFYSAGMB-UQCOIBPSSA-N
XLogP6.21
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329801
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
CID 134409735
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-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
CID 122546209
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
12,27-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2,4,6,9(14),10,12,15,17,19,21,24(29),25,27-tetradecaene
CID 130450199
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
17-dibenzothiophen-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
CID 122546169
5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 146626433
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole (CID 138712378) is 5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole is C/C=C\c1coc2ccc(-n3c4ccccc4n4c5ccccc5nc34)cc12.
What is the InChIKey of 5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is RRWCGCPFYSAGMB-UQCOIBPSSA-N. The full InChI is InChI=1S/C24H17N3O/c1-2-7-16-15-28-23-13-12-17(14-18(16)23)26-21-10-5-6-11-22(21)27-20-9-4-3-8-19(20)25-24(26)27/h2-15H,1H3/b7-2-.
What are the key properties of 5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole?
5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 363.42 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 138712378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).