N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide

C25H31N5O3 — CID 121239523

IUPACN-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)ncn4CCCN(C)C)cccc21
InChIInChI=1S/C25H31N5O3/c1-28(2)11-5-12-30-18-26-21-16-19(8-9-23(21)30)27-25(31)17-33-24-7-4-6-22-20(24)10-13-29(22)14-15-32-3/h4,6-10,13,16,18H,5,11-12,14-15,17H2,1-3H3,(H,27,31)
InChIKeyWTVQMVSMWVFTTH-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.61
Rot. Bonds11

About N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide

N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide (PubChem CID 121239523) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
PubChem CID121239523
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)ncn4CCCN(C)C)cccc21
InChIInChI=1S/C25H31N5O3/c1-28(2)11-5-12-30-18-26-21-16-19(8-9-23(21)30)27-25(31)17-33-24-7-4-6-22-20(24)10-13-29(22)14-15-32-3/h4,6-10,13,16,18H,5,11-12,14-15,17H2,1-3H3,(H,27,31)
InChIKeyWTVQMVSMWVFTTH-UHFFFAOYSA-N
XLogP3.61
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The IUPAC name of N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide (CID 121239523) is N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide.
What is the SMILES notation for N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The canonical SMILES for N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide is COCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)ncn4CCCN(C)C)cccc21.
What is the InChIKey of N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The InChIKey is WTVQMVSMWVFTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-28(2)11-5-12-30-18-26-21-16-19(8-9-23(21)30)27-25(31)17-33-24-7-4-6-22-20(24)10-13-29(22)14-15-32-3/h4,6-10,13,16,18H,5,11-12,14-15,17H2,1-3H3,(H,27,31).
What are the key properties of N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide has a molecular weight of 449.56 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide is sourced from PubChem (CID 121239523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).