N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

C22H25N3O — CID 113200813

IUPACN-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCc3nc4ccccn4c3C2)cc1
InChIInChI=1S/C22H25N3O/c1-22(2,3)16-8-10-17(11-9-16)23-21(26)15-7-12-18-19(14-15)25-13-5-4-6-20(25)24-18/h4-6,8-11,13,15H,7,12,14H2,1-3H3,(H,23,26)
InChIKeyUDOFNLXFJFGYRM-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.38
Rot. Bonds2

About N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113200813) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113200813
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCc3nc4ccccn4c3C2)cc1
InChIInChI=1S/C22H25N3O/c1-22(2,3)16-8-10-17(11-9-16)23-21(26)15-7-12-18-19(14-15)25-13-5-4-6-20(25)24-18/h4-6,8-11,13,15H,7,12,14H2,1-3H3,(H,23,26)
InChIKeyUDOFNLXFJFGYRM-UHFFFAOYSA-N
XLogP4.38
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200799
N-(4-ethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200833
N-(5-methyl-1,2-oxazol-3-yl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200896
N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200893
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200838
N-[4-chloro-2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200877
N,N-diethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200772
N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201005
N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200773
N-(4-acetylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201034
N-[4-(diethylamino)phenyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201225
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200718

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113200813) is N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is CC(C)(C)c1ccc(NC(=O)C2CCc3nc4ccccn4c3C2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is UDOFNLXFJFGYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-22(2,3)16-8-10-17(11-9-16)23-21(26)15-7-12-18-19(14-15)25-13-5-4-6-20(25)24-18/h4-6,8-11,13,15H,7,12,14H2,1-3H3,(H,23,26).
What are the key properties of N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113200813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).