3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide

C25H33N3O3 — CID 16990890

IUPAC3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CC(C)C)cc1OC
InChIInChI=1S/C25H33N3O3/c1-18(2)17-28-21-11-8-7-10-20(21)27-24(28)12-6-5-9-15-26-25(29)19-13-14-22(30-3)23(16-19)31-4/h7-8,10-11,13-14,16,18H,5-6,9,12,15,17H2,1-4H3,(H,26,29)
InChIKeyASWJGBUSVPCECL-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.85
Rot. Bonds11

About 3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide

3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990890) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16990890
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCOc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CC(C)C)cc1OC
InChIInChI=1S/C25H33N3O3/c1-18(2)17-28-21-11-8-7-10-20(21)27-24(28)12-6-5-9-15-26-25(29)19-13-14-22(30-3)23(16-19)31-4/h7-8,10-11,13-14,16,18H,5-6,9,12,15,17H2,1-4H3,(H,26,29)
InChIKeyASWJGBUSVPCECL-UHFFFAOYSA-N
XLogP4.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 7080090
3,4-dimethoxy-N-[5-(1-phenacylbenzimidazol-2-yl)pentyl]benzamide
CID 16991042
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-3,4-dimethoxybenzamide
CID 16990908
N-[5-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990920
3,4-dimethoxy-N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990960
3,4-dimethoxy-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990932
3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990931
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990926
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983900
3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
CID 4548357
N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 4688660

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide (CID 16990890) is 3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide is COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CC(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is ASWJGBUSVPCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18(2)17-28-21-11-8-7-10-20(21)27-24(28)12-6-5-9-15-26-25(29)19-13-14-22(30-3)23(16-19)31-4/h7-8,10-11,13-14,16,18H,5-6,9,12,15,17H2,1-4H3,(H,26,29).
What are the key properties of 3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide?
3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).