N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide

C23H29N3O3 — CID 4688660

IUPACN-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
SMILESCCCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C23H29N3O3/c1-4-5-15-26-19-10-7-6-9-18(19)25-22(26)11-8-14-24-23(27)17-12-13-20(28-2)21(16-17)29-3/h6-7,9-10,12-13,16H,4-5,8,11,14-15H2,1-3H3,(H,24,27)
InChIKeyOPHHVNNHSVZBGO-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.22
Rot. Bonds10

About N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide

N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide (PubChem CID 4688660) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
PubChem CID4688660
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
SMILESCCCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C23H29N3O3/c1-4-5-15-26-19-10-7-6-9-18(19)25-22(26)11-8-14-24-23(27)17-12-13-20(28-2)21(16-17)29-3/h6-7,9-10,12-13,16H,4-5,8,11,14-15H2,1-3H3,(H,24,27)
InChIKeyOPHHVNNHSVZBGO-UHFFFAOYSA-N
XLogP4.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide 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

3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
CID 4548357
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983900
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
CID 16983942
3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 7080090
N-[3-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983867
3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976863
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide (CID 4688660) is N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide is CCCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide?
The InChIKey is OPHHVNNHSVZBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-5-15-26-19-10-7-6-9-18(19)25-22(26)11-8-14-24-23(27)17-12-13-20(28-2)21(16-17)29-3/h6-7,9-10,12-13,16H,4-5,8,11,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide?
N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide has a molecular weight of 395.50 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 4688660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).