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

C22H27N3O3 — CID 4548357

IUPAC3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
SMILESCCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-4-14-25-18-9-6-5-8-17(18)24-21(25)10-7-13-23-22(26)16-11-12-19(27-2)20(15-16)28-3/h5-6,8-9,11-12,15H,4,7,10,13-14H2,1-3H3,(H,23,26)
InChIKeyISOYRNNVTKCAPN-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.83
Rot. Bonds9

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

3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide (PubChem CID 4548357) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
PubChem CID4548357
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
SMILESCCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-4-14-25-18-9-6-5-8-17(18)24-21(25)10-7-13-23-22(26)16-11-12-19(27-2)20(15-16)28-3/h5-6,8-9,11-12,15H,4,7,10,13-14H2,1-3H3,(H,23,26)
InChIKeyISOYRNNVTKCAPN-UHFFFAOYSA-N
XLogP3.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide 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-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 4688660
3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983900
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 7080090
2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16985669
N-[3-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983867
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
3,4-dimethoxy-N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990960
N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983804
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983843
N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
CID 16983942

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide (CID 4548357) is 3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide is CCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of 3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide?
The InChIKey is ISOYRNNVTKCAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-14-25-18-9-6-5-8-17(18)24-21(25)10-7-13-23-22(26)16-11-12-19(27-2)20(15-16)28-3/h5-6,8-9,11-12,15H,4,7,10,13-14H2,1-3H3,(H,23,26).
What are the key properties of 3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide?
3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.83, 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-propylbenzimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 4548357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).