N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide

C21H25N3O4 — CID 18093027

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCCn1c(CNC(=O)Cc2ccc(OC)c(OC)c2OC)nc2ccccc21
InChIInChI=1S/C21H25N3O4/c1-5-24-16-9-7-6-8-15(16)23-18(24)13-22-19(25)12-14-10-11-17(26-2)21(28-4)20(14)27-3/h6-11H,5,12-13H2,1-4H3,(H,22,25)
InChIKeyPTFFTCMFURLEFY-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.94
Rot. Bonds8

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 18093027) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID18093027
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCCn1c(CNC(=O)Cc2ccc(OC)c(OC)c2OC)nc2ccccc21
InChIInChI=1S/C21H25N3O4/c1-5-24-16-9-7-6-8-15(16)23-18(24)13-22-19(25)12-14-10-11-17(26-2)21(28-4)20(14)27-3/h6-11H,5,12-13H2,1-4H3,(H,22,25)
InChIKeyPTFFTCMFURLEFY-UHFFFAOYSA-N
XLogP2.94
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)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

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
CID 49373016
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
CID 16968923
2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116677
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide (CID 18093027) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide is CCn1c(CNC(=O)Cc2ccc(OC)c(OC)c2OC)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is PTFFTCMFURLEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-5-24-16-9-7-6-8-15(16)23-18(24)13-22-19(25)12-14-10-11-17(26-2)21(28-4)20(14)27-3/h6-11H,5,12-13H2,1-4H3,(H,22,25).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 18093027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).