N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide

C25H31N5O3 — CID 17236012

IUPACN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
SMILESCCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21
InChIInChI=1S/C25H31N5O3/c1-4-30-23-9-8-20(26-25(32)17-33-21-7-5-6-18(2)14-21)15-22(23)27-24(30)16-28-10-12-29(13-11-28)19(3)31/h5-9,14-15H,4,10-13,16-17H2,1-3H3,(H,26,32)
InChIKeyJXHYLBHYYMTFLA-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.05
Rot. Bonds7

About N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide

N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 17236012) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
PubChem CID17236012
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
SMILESCCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21
InChIInChI=1S/C25H31N5O3/c1-4-30-23-9-8-20(26-25(32)17-33-21-7-5-6-18(2)14-21)15-22(23)27-24(30)16-28-10-12-29(13-11-28)19(3)31/h5-9,14-15H,4,10-13,16-17H2,1-3H3,(H,26,32)
InChIKeyJXHYLBHYYMTFLA-UHFFFAOYSA-N
XLogP3.05
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)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-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 53207619
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
CID 17235994
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
2-(4-methoxyphenoxy)-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]acetamide
CID 17236113
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
CID 23611196
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611156
N-[1-butyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-2-phenoxyacetamide
CID 53207634
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147
1-ethyl-N,N-dimethyl-2-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzimidazole-5-carboxamide
CID 50823978
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611197

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide (CID 17236012) is N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide is CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21.
What is the InChIKey of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide?
The InChIKey is JXHYLBHYYMTFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-4-30-23-9-8-20(26-25(32)17-33-21-7-5-6-18(2)14-21)15-22(23)27-24(30)16-28-10-12-29(13-11-28)19(3)31/h5-9,14-15H,4,10-13,16-17H2,1-3H3,(H,26,32).
What are the key properties of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide?
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 449.56 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 17236012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).