N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

C18H23N5O3 — CID 55909912

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NCCCc2nc3ccccc3[nH]2)C(=O)C1=O
InChIInChI=1S/C18H23N5O3/c1-2-22-10-11-23(18(26)17(22)25)12-16(24)19-9-5-8-15-20-13-6-3-4-7-14(13)21-15/h3-4,6-7H,2,5,8-12H2,1H3,(H,19,24)(H,20,21)
InChIKeyPRIWGMCZAQSFKH-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.30
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (PubChem CID 55909912) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
PubChem CID55909912
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NCCCc2nc3ccccc3[nH]2)C(=O)C1=O
InChIInChI=1S/C18H23N5O3/c1-2-22-10-11-23(18(26)17(22)25)12-16(24)19-9-5-8-15-20-13-6-3-4-7-14(13)21-15/h3-4,6-7H,2,5,8-12H2,1H3,(H,19,24)(H,20,21)
InChIKeyPRIWGMCZAQSFKH-UHFFFAOYSA-N
XLogP0.30
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-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-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30359729
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445090
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 18783633
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
2-(1H-benzimidazol-2-yl)-N-butylacetamide
CID 3852846
N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
CID 55566777
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (CID 55909912) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is CCN1CCN(CC(=O)NCCCc2nc3ccccc3[nH]2)C(=O)C1=O.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The InChIKey is PRIWGMCZAQSFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-2-22-10-11-23(18(26)17(22)25)12-16(24)19-9-5-8-15-20-13-6-3-4-7-14(13)21-15/h3-4,6-7H,2,5,8-12H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 55909912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).