2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C26H28N6O — CID 11640742

IUPAC2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1nc2ccccc2n1CC(=O)NCc1cccnc1)C1CCCc2cccnc21
InChIInChI=1S/C26H28N6O/c1-31(23-12-4-8-20-9-6-14-28-26(20)23)17-24-30-21-10-2-3-11-22(21)32(24)18-25(33)29-16-19-7-5-13-27-15-19/h2-3,5-7,9-11,13-15,23H,4,8,12,16-18H2,1H3,(H,29,33)
InChIKeyPTJSFJFYRHYIAG-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.65
Rot. Bonds7

About 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 11640742) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID11640742
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1nc2ccccc2n1CC(=O)NCc1cccnc1)C1CCCc2cccnc21
InChIInChI=1S/C26H28N6O/c1-31(23-12-4-8-20-9-6-14-28-26(20)23)17-24-30-21-10-2-3-11-22(21)32(24)18-25(33)29-16-19-7-5-13-27-15-19/h2-3,5-7,9-11,13-15,23H,4,8,12,16-18H2,1H3,(H,29,33)
InChIKeyPTJSFJFYRHYIAG-UHFFFAOYSA-N
XLogP3.65
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

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1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
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Bay-985
CID 145925685
9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 146273897
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CID 71138858
Eapb-0203
CID 24779760
Imidazopyridine 12a
CID 5329347
Imidazopyridine 12b
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Imidazopyridine 18a
CID 5329351

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 11640742) is 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1nc2ccccc2n1CC(=O)NCc1cccnc1)C1CCCc2cccnc21.
What is the InChIKey of 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is PTJSFJFYRHYIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-31(23-12-4-8-20-9-6-14-28-26(20)23)17-24-30-21-10-2-3-11-22(21)32(24)18-25(33)29-16-19-7-5-13-27-15-19/h2-3,5-7,9-11,13-15,23H,4,8,12,16-18H2,1H3,(H,29,33).
What are the key properties of 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 440.55 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 11640742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).