N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

C22H25N3O — CID 113201258

IUPACN-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCCN(C(=O)C1CCc2nc3cc(C)ccn3c2C1)c1cccc(C)c1
InChIInChI=1S/C22H25N3O/c1-4-24(18-7-5-6-15(2)12-18)22(26)17-8-9-19-20(14-17)25-11-10-16(3)13-21(25)23-19/h5-7,10-13,17H,4,8-9,14H2,1-3H3
InChIKeyLMYANNUUOIWFQS-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.11
Rot. Bonds3

About N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113201258) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113201258
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCCN(C(=O)C1CCc2nc3cc(C)ccn3c2C1)c1cccc(C)c1
InChIInChI=1S/C22H25N3O/c1-4-24(18-7-5-6-15(2)12-18)22(26)17-8-9-19-20(14-17)25-11-10-16(3)13-21(25)23-19/h5-7,10-13,17H,4,8-9,14H2,1-3H3
InChIKeyLMYANNUUOIWFQS-UHFFFAOYSA-N
XLogP4.11
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylamino)phenyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201225
N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200772
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-[2-(4-fluorophenyl)ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201125
N-benzyl-N-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200738
N-(4-bromo-2-methylphenyl)-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201235
N-ethyl-3-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 102778923
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
CID 110865038
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705842

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113201258) is N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is CCN(C(=O)C1CCc2nc3cc(C)ccn3c2C1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is LMYANNUUOIWFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-4-24(18-7-5-6-15(2)12-18)22(26)17-8-9-19-20(14-17)25-11-10-16(3)13-21(25)23-19/h5-7,10-13,17H,4,8-9,14H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113201258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).