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

C21H23N3O — CID 113200738

IUPACN-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C21H23N3O/c1-2-23(15-16-8-4-3-5-9-16)21(25)17-11-12-18-19(14-17)24-13-7-6-10-20(24)22-18/h3-10,13,17H,2,11-12,14-15H2,1H3
InChIKeyTUEBNAQBUYXOGU-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.49
Rot. Bonds4

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

N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113200738) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113200738
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C21H23N3O/c1-2-23(15-16-8-4-3-5-9-16)21(25)17-11-12-18-19(14-17)24-13-7-6-10-20(24)22-18/h3-10,13,17H,2,11-12,14-15H2,1H3
InChIKeyTUEBNAQBUYXOGU-UHFFFAOYSA-N
XLogP3.49
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200772
N-benzyl-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200730
N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200773
8-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403192
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-(4-ethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200833
N-(3,4-dimethylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200799
N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201258
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203560
N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200893

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113200738) is N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCc2nc3ccccn3c2C1.
What is the InChIKey of N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is TUEBNAQBUYXOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-23(15-16-8-4-3-5-9-16)21(25)17-11-12-18-19(14-17)24-13-7-6-10-20(24)22-18/h3-10,13,17H,2,11-12,14-15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113200738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).