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

C23H29N3O3 — CID 7080090

IUPAC3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCc2nc3ccccc3n2CC(C)C)cc1OC
InChIInChI=1S/C23H29N3O3/c1-16(2)15-26-19-9-6-5-8-18(19)25-22(26)10-7-13-24-23(27)17-11-12-20(28-3)21(14-17)29-4/h5-6,8-9,11-12,14,16H,7,10,13,15H2,1-4H3,(H,24,27)
InChIKeyJTHILHFKEJZGCZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.07
Rot. Bonds9

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

3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 7080090) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID7080090
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCc2nc3ccccc3n2CC(C)C)cc1OC
InChIInChI=1S/C23H29N3O3/c1-16(2)15-26-19-9-6-5-8-18(19)25-22(26)10-7-13-24-23(27)17-11-12-20(28-3)21(14-17)29-4/h5-6,8-9,11-12,14,16H,7,10,13,15H2,1-4H3,(H,24,27)
InChIKeyJTHILHFKEJZGCZ-UHFFFAOYSA-N
XLogP4.07
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.07
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-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990890
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
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983903
3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983804
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 4656833
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-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
N-[3-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983867

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide (CID 7080090) is 3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide is COc1ccc(C(=O)NCCCc2nc3ccccc3n2CC(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is JTHILHFKEJZGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)15-26-19-9-6-5-8-18(19)25-22(26)10-7-13-24-23(27)17-11-12-20(28-3)21(14-17)29-4/h5-6,8-9,11-12,14,16H,7,10,13,15H2,1-4H3,(H,24,27).
What are the key properties of 3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide?
3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 7080090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).