2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole

C23H20N2 — CID 173482225

IUPAC2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole
SMILESC/C=C/Cc1cccc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C23H20N2/c1-2-3-10-18-11-9-12-19(17-18)23-24-21-15-7-8-16-22(21)25(23)20-13-5-4-6-14-20/h2-9,11-17H,10H2,1H3/b3-2+
InChIKeySICQJCDVDYGBGE-NSCUHMNNSA-N
MW324.43 g/mol
LogP5.81
Rot. Bonds4

About 2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole

2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole (PubChem CID 173482225) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole
PubChem CID173482225
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole
SMILESC/C=C/Cc1cccc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C23H20N2/c1-2-3-10-18-11-9-12-19(17-18)23-24-21-15-7-8-16-22(21)25(23)20-13-5-4-6-14-20/h2-9,11-17H,10H2,1H3/b3-2+
InChIKeySICQJCDVDYGBGE-NSCUHMNNSA-N
XLogP5.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
2-(3-ethenylphenyl)-1-phenylbenzimidazole
CID 89265101
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
2-[(Z)-but-1-enyl]-3-methyl-4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-1,4-benzoxazine
CID 130181334
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole
CID 90075826
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole (CID 173482225) is 2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole is C/C=C/Cc1cccc(-c2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of 2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole?
The InChIKey is SICQJCDVDYGBGE-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H20N2/c1-2-3-10-18-11-9-12-19(17-18)23-24-21-15-7-8-16-22(21)25(23)20-13-5-4-6-14-20/h2-9,11-17H,10H2,1H3/b3-2+.
What are the key properties of 2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole?
2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole has a molecular weight of 324.43 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-but-2-enyl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 173482225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).