N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide

C19H19N3O — CID 50777138

IUPACN-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C19H19N3O/c1-13-6-2-3-7-15(13)21-19(23)14-10-11-22-17-9-5-4-8-16(17)20-18(22)12-14/h2-9,14H,10-12H2,1H3,(H,21,23)
InChIKeyMKZQBWFINPIXEJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.55
Rot. Bonds2

About N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide

N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 50777138) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
PubChem CID50777138
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C19H19N3O/c1-13-6-2-3-7-15(13)21-19(23)14-10-11-22-17-9-5-4-8-16(17)20-18(22)12-14/h2-9,14H,10-12H2,1H3,(H,21,23)
InChIKeyMKZQBWFINPIXEJ-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92501808
(3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746448
(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746433
N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 46320637
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372
(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124807222
1-(cyclohexanecarbonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 113006064
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113006099
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
(7S)-7-methyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
CID 92978156
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (CID 50777138) is N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is Cc1ccccc1NC(=O)C1CCn2c(nc3ccccc32)C1.
What is the InChIKey of N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is MKZQBWFINPIXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-6-2-3-7-15(13)21-19(23)14-10-11-22-17-9-5-4-8-16(17)20-18(22)12-14/h2-9,14H,10-12H2,1H3,(H,21,23).
What are the key properties of N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 50777138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).