N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine

C22H24N4O — CID 46971377

IUPACN-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCCOc1nc2ccccc2cc1CNCCc1nc2ccccc2n1C
InChIInChI=1S/C22H24N4O/c1-3-27-22-17(14-16-8-4-5-9-18(16)25-22)15-23-13-12-21-24-19-10-6-7-11-20(19)26(21)2/h4-11,14,23H,3,12-13,15H2,1-2H3
InChIKeyACGNWYZWAAIYJQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.85
Rot. Bonds7

About N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine

N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 46971377) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID46971377
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCCOc1nc2ccccc2cc1CNCCc1nc2ccccc2n1C
InChIInChI=1S/C22H24N4O/c1-3-27-22-17(14-16-8-4-5-9-18(16)25-22)15-23-13-12-21-24-19-10-6-7-11-20(19)26(21)2/h4-11,14,23H,3,12-13,15H2,1-2H3
InChIKeyACGNWYZWAAIYJQ-UHFFFAOYSA-N
XLogP3.85
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 83961969
N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 83961971
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55228241
N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83962035
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
CID 83961987
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
N-[2-(5-ethoxy-1-methylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82334825
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641544
3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 83962034

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine (CID 46971377) is N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine is CCOc1nc2ccccc2cc1CNCCc1nc2ccccc2n1C.
What is the InChIKey of N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is ACGNWYZWAAIYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-27-22-17(14-16-8-4-5-9-18(16)25-22)15-23-13-12-21-24-19-10-6-7-11-20(19)26(21)2/h4-11,14,23H,3,12-13,15H2,1-2H3.
What are the key properties of N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine?
N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 360.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 46971377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).