N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

C21H23N3O3 — CID 113201029

IUPACN-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCOc1ccc(NC(=O)C2CCc3nc4ccc(C)cn4c3C2)cc1OC
InChIInChI=1S/C21H23N3O3/c1-13-4-9-20-23-16-7-5-14(10-17(16)24(20)12-13)21(25)22-15-6-8-18(26-2)19(11-15)27-3/h4,6,8-9,11-12,14H,5,7,10H2,1-3H3,(H,22,25)
InChIKeyJLAXMHUKMIHYTR-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.40
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide

N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113201029) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113201029
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESCOc1ccc(NC(=O)C2CCc3nc4ccc(C)cn4c3C2)cc1OC
InChIInChI=1S/C21H23N3O3/c1-13-4-9-20-23-16-7-5-14(10-17(16)24(20)12-13)21(25)22-15-6-8-18(26-2)19(11-15)27-3/h4,6,8-9,11-12,14H,5,7,10H2,1-3H3,(H,22,25)
InChIKeyJLAXMHUKMIHYTR-UHFFFAOYSA-N
XLogP3.40
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201012
N-(3-bromo-4-methylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201018
N-(4-acetylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201034
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-(3,4-dimethylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200799
N-(3,4-dimethoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680789
azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113200979
(4-methylpiperidin-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113200908
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200838
N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204168
N-[4-(diethylamino)phenyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201225

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113201029) is N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is COc1ccc(NC(=O)C2CCc3nc4ccc(C)cn4c3C2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is JLAXMHUKMIHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-4-9-20-23-16-7-5-14(10-17(16)24(20)12-13)21(25)22-15-6-8-18(26-2)19(11-15)27-3/h4,6,8-9,11-12,14H,5,7,10H2,1-3H3,(H,22,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113201029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).