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

C21H23N3O — CID 113200923

IUPAC2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCc1ccc2nc3c(n2c1)CC(C(=O)NCc1ccccc1C)CC3
InChIInChI=1S/C21H23N3O/c1-14-7-10-20-23-18-9-8-16(11-19(18)24(20)13-14)21(25)22-12-17-6-4-3-5-15(17)2/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,22,25)
InChIKeyOXTLZLPFAROBOC-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.37
Rot. Bonds3

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

2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113200923) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113200923
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCc1ccc2nc3c(n2c1)CC(C(=O)NCc1ccccc1C)CC3
InChIInChI=1S/C21H23N3O/c1-14-7-10-20-23-18-9-8-16(11-19(18)24(20)13-14)21(25)22-12-17-6-4-3-5-15(17)2/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,22,25)
InChIKeyOXTLZLPFAROBOC-UHFFFAOYSA-N
XLogP3.37
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200932
2-methyl-N-(3-methylbutyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200971
N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201005
N-(3-bromo-4-methylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201018
8-tert-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 113303186
N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200773
N-(3,4-dimethylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200799
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200718
N-[(2-methylphenyl)methyl]-9-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688045
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
(3S)-6-chloro-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9092926
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113200923) is 2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is Cc1ccc2nc3c(n2c1)CC(C(=O)NCc1ccccc1C)CC3.
What is the InChIKey of 2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is OXTLZLPFAROBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-7-10-20-23-18-9-8-16(11-19(18)24(20)13-14)21(25)22-12-17-6-4-3-5-15(17)2/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113200923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).