(3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide

C21H23N3O4 — CID 92501808

IUPAC(3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCn3c(nc4ccccc43)C2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-26-17-11-14(12-18(27-2)20(17)28-3)22-21(25)13-8-9-24-16-7-5-4-6-15(16)23-19(24)10-13/h4-7,11-13H,8-10H2,1-3H3,(H,22,25)/t13-/m0/s1
InChIKeyVKWUMGUSGVXYBO-ZDUSSCGKSA-N
MW381.43 g/mol
LogP3.26
Rot. Bonds5

About (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide

(3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 92501808) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
PubChem CID92501808
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCn3c(nc4ccccc43)C2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-26-17-11-14(12-18(27-2)20(17)28-3)22-21(25)13-8-9-24-16-7-5-4-6-15(16)23-19(24)10-13/h4-7,11-13H,8-10H2,1-3H3,(H,22,25)/t13-/m0/s1
InChIKeyVKWUMGUSGVXYBO-ZDUSSCGKSA-N
XLogP3.26
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 50777138
N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 46320637
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 26701571
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 46268899
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 90610546
N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
CID 112989494
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 97264345
3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
CID 90505823

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide (CID 92501808) is (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is COc1cc(NC(=O)[C@H]2CCn3c(nc4ccccc43)C2)cc(OC)c1OC.
What is the InChIKey of (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is VKWUMGUSGVXYBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-17-11-14(12-18(27-2)20(17)28-3)22-21(25)13-8-9-24-16-7-5-4-6-15(16)23-19(24)10-13/h4-7,11-13H,8-10H2,1-3H3,(H,22,25)/t13-/m0/s1.
What are the key properties of (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide?
(3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 92501808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).