2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide

C26H34N6O2 — CID 11554442

IUPAC2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide
SMILESCN(Cc1nc2c(C(=O)NCCCN3CCOCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C26H34N6O2/c1-31(22-10-2-6-19-7-4-11-27-24(19)22)18-23-29-21-9-3-8-20(25(21)30-23)26(33)28-12-5-13-32-14-16-34-17-15-32/h3-4,7-9,11,22H,2,5-6,10,12-18H2,1H3,(H,28,33)(H,29,30)
InChIKeyKZZCKGOROMDOGS-UHFFFAOYSA-N
MW462.60 g/mol
LogP2.92
Rot. Bonds8

About 2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide

2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide (PubChem CID 11554442) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide
PubChem CID11554442
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide
SMILESCN(Cc1nc2c(C(=O)NCCCN3CCOCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C26H34N6O2/c1-31(22-10-2-6-19-7-4-11-27-24(19)22)18-23-29-21-9-3-8-20(25(21)30-23)26(33)28-12-5-13-32-14-16-34-17-15-32/h3-4,7-9,11,22H,2,5-6,10,12-18H2,1H3,(H,28,33)(H,29,30)
InChIKeyKZZCKGOROMDOGS-UHFFFAOYSA-N
XLogP2.92
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide (CID 11554442) is 2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide is CN(Cc1nc2c(C(=O)NCCCN3CCOCC3)cccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of 2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is KZZCKGOROMDOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-31(22-10-2-6-19-7-4-11-27-24(19)22)18-23-29-21-9-3-8-20(25(21)30-23)26(33)28-12-5-13-32-14-16-34-17-15-32/h3-4,7-9,11,22H,2,5-6,10,12-18H2,1H3,(H,28,33)(H,29,30).
What are the key properties of 2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide?
2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11554442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).