N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C24H31N5O2 — CID 27286571

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c2ccccc21
InChIInChI=1S/C24H31N5O2/c1-3-13-28-21-7-5-6-8-22(21)29(24(28)31)18-23(30)25-19-9-11-20(12-10-19)27-16-14-26(4-2)15-17-27/h5-12H,3-4,13-18H2,1-2H3,(H,25,30)
InChIKeyJWWHLTGTBBNQNZ-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.99
Rot. Bonds7

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 27286571) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID27286571
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c2ccccc21
InChIInChI=1S/C24H31N5O2/c1-3-13-28-21-7-5-6-8-22(21)29(24(28)31)18-23(30)25-19-9-11-20(12-10-19)27-16-14-26(4-2)15-17-27/h5-12H,3-4,13-18H2,1-2H3,(H,25,30)
InChIKeyJWWHLTGTBBNQNZ-UHFFFAOYSA-N
XLogP2.99
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)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-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
CID 27021666
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 27285530
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one
CID 18089247
2-(3,5-dimethylpiperidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 17401562
4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 24609226
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
CID 168522189
1-butyl-3-[5-[4-(4-hydroxyphenyl)piperazin-1-yl]pentyl]benzimidazol-2-one
CID 122367612
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 9328434

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 27286571) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c2ccccc21.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is JWWHLTGTBBNQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-3-13-28-21-7-5-6-8-22(21)29(24(28)31)18-23(30)25-19-9-11-20(12-10-19)27-16-14-26(4-2)15-17-27/h5-12H,3-4,13-18H2,1-2H3,(H,25,30).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 421.55 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 27286571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).