N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

C20H21N3O — CID 113200730

IUPACN-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C20H21N3O/c1-22(14-15-7-3-2-4-8-15)20(24)16-10-11-17-18(13-16)23-12-6-5-9-19(23)21-17/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyNQHBPQVGLKINDJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.10
Rot. Bonds3

About N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113200730) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113200730
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C20H21N3O/c1-22(14-15-7-3-2-4-8-15)20(24)16-10-11-17-18(13-16)23-12-6-5-9-19(23)21-17/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeyNQHBPQVGLKINDJ-UHFFFAOYSA-N
XLogP3.10
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200738
N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200772
N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200813
N-(3,4-dimethylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200799
N-(5-methyl-1,2-oxazol-3-yl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200896
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200718
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 72839716
N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 74464257
8-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403192
N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200893
N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56715082
N-benzyl-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25286717

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113200730) is N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is CN(Cc1ccccc1)C(=O)C1CCc2nc3ccccn3c2C1.
What is the InChIKey of N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is NQHBPQVGLKINDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22(14-15-7-3-2-4-8-15)20(24)16-10-11-17-18(13-16)23-12-6-5-9-19(23)21-17/h2-9,12,16H,10-11,13-14H2,1H3.
What are the key properties of N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113200730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).