2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide

C23H25N3O3 — CID 16998161

IUPAC2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1c(COc2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C23H25N3O3/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/h4-12,15H,1-2,13-14,16-17H2,3H3
InChIKeyWVDIOGWBLYCSIL-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.82
Rot. Bonds10

About 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 16998161) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID16998161
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1c(COc2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C23H25N3O3/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/h4-12,15H,1-2,13-14,16-17H2,3H3
InChIKeyWVDIOGWBLYCSIL-UHFFFAOYSA-N
XLogP3.82
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide 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

2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16998160
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998268
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16998040
2-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16997668
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16996037
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999311
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 34804322
N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009747
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17474837
2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16998094
2-[2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16971361

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 16998161) is 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cn1c(COc2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is WVDIOGWBLYCSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/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/h4-12,15H,1-2,13-14,16-17H2,3H3.
What are the key properties of 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.82, 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-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 16998161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).