2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline

C24H20N4 — CID 4527430

IUPAC2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline
SMILESCCCn1c(-c2nc3ccccc3nc2-c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H20N4/c1-2-16-28-21-15-9-8-14-20(21)27-24(28)23-22(17-10-4-3-5-11-17)25-18-12-6-7-13-19(18)26-23/h3-15H,2,16H2,1H3
InChIKeyLMLYCRVZZWNEJQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.72
Rot. Bonds4

About 2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline

2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline (PubChem CID 4527430) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline
PubChem CID4527430
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline
SMILESCCCn1c(-c2nc3ccccc3nc2-c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H20N4/c1-2-16-28-21-15-9-8-14-20(21)27-24(28)23-22(17-10-4-3-5-11-17)25-18-12-6-7-13-19(18)26-23/h3-15H,2,16H2,1H3
InChIKeyLMLYCRVZZWNEJQ-UHFFFAOYSA-N
XLogP5.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 107704465
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-(1-ethylbenzimidazol-2-yl)-3-methylquinoxaline
CID 14365362
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
CID 136577815
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
CID 50838506

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline?
The IUPAC name of 2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline (CID 4527430) is 2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline.
What is the SMILES notation for 2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline?
The canonical SMILES for 2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline is CCCn1c(-c2nc3ccccc3nc2-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline?
The InChIKey is LMLYCRVZZWNEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c1-2-16-28-21-15-9-8-14-20(21)27-24(28)23-22(17-10-4-3-5-11-17)25-18-12-6-7-13-19(18)26-23/h3-15H,2,16H2,1H3.
What are the key properties of 2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline?
2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline has a molecular weight of 364.45 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline is sourced from PubChem (CID 4527430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).