2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide

C24H19N5O — CID 166630483

IUPAC2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide
SMILESNc1ccccc1-c1nc2ccccc2n1CC(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C24H19N5O/c25-19-8-2-1-7-18(19)24-28-21-9-3-4-10-22(21)29(24)15-23(30)27-17-11-12-20-16(14-17)6-5-13-26-20/h1-14H,15,25H2,(H,27,30)
InChIKeyCYYJUISEDYALTK-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.47
Rot. Bonds4

About 2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide

2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide (PubChem CID 166630483) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide
PubChem CID166630483
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide
SMILESNc1ccccc1-c1nc2ccccc2n1CC(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C24H19N5O/c25-19-8-2-1-7-18(19)24-28-21-9-3-4-10-22(21)29(24)15-23(30)27-17-11-12-20-16(14-17)6-5-13-26-20/h1-14H,15,25H2,(H,27,30)
InChIKeyCYYJUISEDYALTK-UHFFFAOYSA-N
XLogP4.47
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
Mavorixafor
CID 11256587
CR-4056
CID 24898732
Zipalertinib
CID 117918742
N-Hydroxy-3-methyl-3H-imidazo(4,5-f)quinolin-2-amine
CID 105079
3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
CID 135530418
Eapb-0203
CID 24779760
2-Amino-1,7,9-trimethylimidazo(4,5-g)quinoxaline
CID 154686
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329407
5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329408
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329409

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide (CID 166630483) is 2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide is Nc1ccccc1-c1nc2ccccc2n1CC(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide?
The InChIKey is CYYJUISEDYALTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c25-19-8-2-1-7-18(19)24-28-21-9-3-4-10-22(21)29(24)15-23(30)27-17-11-12-20-16(14-17)6-5-13-26-20/h1-14H,15,25H2,(H,27,30).
What are the key properties of 2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide?
2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide has a molecular weight of 393.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)benzimidazol-1-yl]-N-quinolin-6-ylacetamide is sourced from PubChem (CID 166630483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).