N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide

C25H33N3O4 — CID 5059602

IUPACN-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
SMILESCCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H33N3O4/c1-6-7-8-9-10-13-26-25(29)18-11-12-21-20(14-18)27-17(2)28(21)19-15-22(30-3)24(32-5)23(16-19)31-4/h11-12,14-16H,6-10,13H2,1-5H3,(H,26,29)
InChIKeyZJMZSABSTULIFS-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.06
Rot. Bonds11

About N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide

N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide (PubChem CID 5059602) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
PubChem CID5059602
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
SMILESCCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H33N3O4/c1-6-7-8-9-10-13-26-25(29)18-11-12-21-20(14-18)27-17(2)28(21)19-15-22(30-3)24(32-5)23(16-19)31-4/h11-12,14-16H,6-10,13H2,1-5H3,(H,26,29)
InChIKeyZJMZSABSTULIFS-UHFFFAOYSA-N
XLogP5.06
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
CID 3244293
N-hexyl-3,4-dimethylbenzamide
CID 4523484
N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
CID 16983942
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide (CID 5059602) is N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide is CCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide?
The InChIKey is ZJMZSABSTULIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-6-7-8-9-10-13-26-25(29)18-11-12-21-20(14-18)27-17(2)28(21)19-15-22(30-3)24(32-5)23(16-19)31-4/h11-12,14-16H,6-10,13H2,1-5H3,(H,26,29).
What are the key properties of N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide?
N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 5.06, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 5059602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).