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

C21H23N3O — CID 113200773

IUPACN-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C21H23N3O/c25-21(22-13-6-9-16-7-2-1-3-8-16)17-11-12-18-19(15-17)24-14-5-4-10-20(24)23-18/h1-5,7-8,10,14,17H,6,9,11-13,15H2,(H,22,25)
InChIKeyBCNAGBCMJIABSG-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.19
Rot. Bonds5

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

N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (PubChem CID 113200773) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
PubChem CID113200773
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCc2nc3ccccn3c2C1
InChIInChI=1S/C21H23N3O/c25-21(22-13-6-9-16-7-2-1-3-8-16)17-11-12-18-19(15-17)24-14-5-4-10-20(24)23-18/h1-5,7-8,10,14,17H,6,9,11-13,15H2,(H,22,25)
InChIKeyBCNAGBCMJIABSG-UHFFFAOYSA-N
XLogP3.19
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-tert-butylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200813
N-[2-(4-fluorophenyl)ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201125
N-(2,3,4-trifluorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200893
N-(4-ethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200833
3-methyl-N-propyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201080
N-(5-methyl-1,2-oxazol-3-yl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200896
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201127
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200838
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
2-methyl-N-(3-methylbutyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200971
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide (CID 113200773) is N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is O=C(NCCCc1ccccc1)C1CCc2nc3ccccn3c2C1.
What is the InChIKey of N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is BCNAGBCMJIABSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(22-13-6-9-16-7-2-1-3-8-16)17-11-12-18-19(15-17)24-14-5-4-10-20(24)23-18/h1-5,7-8,10,14,17H,6,9,11-13,15H2,(H,22,25).
What are the key properties of N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide?
N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 113200773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).