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

C22H27N3O4 — CID 16983900

IUPAC3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
SMILESCOCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C22H27N3O4/c1-27-14-13-25-18-8-5-4-7-17(18)24-21(25)9-6-12-23-22(26)16-10-11-19(28-2)20(15-16)29-3/h4-5,7-8,10-11,15H,6,9,12-14H2,1-3H3,(H,23,26)
InChIKeyFOCHAWMYQYPWRL-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.06
Rot. Bonds10

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

3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983900) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16983900
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
SMILESCOCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C22H27N3O4/c1-27-14-13-25-18-8-5-4-7-17(18)24-21(25)9-6-12-23-22(26)16-10-11-19(28-2)20(15-16)29-3/h4-5,7-8,10-11,15H,6,9,12-14H2,1-3H3,(H,23,26)
InChIKeyFOCHAWMYQYPWRL-UHFFFAOYSA-N
XLogP3.06
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.06
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

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
3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
3,4-dimethoxy-N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990960
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983843
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
4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984458
N-[3-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983842
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983804
3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976863

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide (CID 16983900) is 3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide is COCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of 3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is FOCHAWMYQYPWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-27-14-13-25-18-8-5-4-7-17(18)24-21(25)9-6-12-23-22(26)16-10-11-19(28-2)20(15-16)29-3/h4-5,7-8,10-11,15H,6,9,12-14H2,1-3H3,(H,23,26).
What are the key properties of 3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide?
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).