2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide

C23H29N3O3 — CID 16998160

IUPAC2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(COc2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C23H29N3O3/c1-4-13-25(14-5-2)23(27)16-26-21-12-7-6-11-20(21)24-22(26)17-29-19-10-8-9-18(15-19)28-3/h6-12,15H,4-5,13-14,16-17H2,1-3H3
InChIKeyZNADVFUQNKWBJZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.27
Rot. Bonds10

About 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide

2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide (PubChem CID 16998160) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide
PubChem CID16998160
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(COc2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C23H29N3O3/c1-4-13-25(14-5-2)23(27)16-26-21-12-7-6-11-20(21)24-22(26)17-29-19-10-8-9-18(15-19)28-3/h6-12,15H,4-5,13-14,16-17H2,1-3H3
InChIKeyZNADVFUQNKWBJZ-UHFFFAOYSA-N
XLogP4.27
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998161
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999311
2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16996377
N-(2,6-diethylphenyl)-N-(methoxymethyl)-2-[2-[(4-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 23905961
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 34804322
2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16986343
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998087
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17001798
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide (CID 16998160) is 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1c(COc2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide?
The InChIKey is ZNADVFUQNKWBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-13-25(14-5-2)23(27)16-26-21-12-7-6-11-20(21)24-22(26)17-29-19-10-8-9-18(15-19)28-3/h6-12,15H,4-5,13-14,16-17H2,1-3H3.
What are the key properties of 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide?
2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide has a molecular weight of 395.50 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 16998160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).