N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C25H22N4O3 — CID 134041001

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C25H22N4O3/c30-23(16-32-20-12-10-19(11-13-20)29-14-4-9-24(29)31)26-18-6-3-5-17(15-18)25-27-21-7-1-2-8-22(21)28-25/h1-3,5-8,10-13,15H,4,9,14,16H2,(H,26,30)(H,27,28)
InChIKeyWCHUZTSKDOKWKC-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.37
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 134041001) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID134041001
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C25H22N4O3/c30-23(16-32-20-12-10-19(11-13-20)29-14-4-9-24(29)31)26-18-6-3-5-17(15-18)25-27-21-7-1-2-8-22(21)28-25/h1-3,5-8,10-13,15H,4,9,14,16H2,(H,26,30)(H,27,28)
InChIKeyWCHUZTSKDOKWKC-UHFFFAOYSA-N
XLogP4.37
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]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-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 112803411
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide
CID 18283756
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
CID 2301170
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 15994533
ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 32621761
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
N-(9H-fluoren-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26781987
3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27446063
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 55620329

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 134041001) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is WCHUZTSKDOKWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-23(16-32-20-12-10-19(11-13-20)29-14-4-9-24(29)31)26-18-6-3-5-17(15-18)25-27-21-7-1-2-8-22(21)28-25/h1-3,5-8,10-13,15H,4,9,14,16H2,(H,26,30)(H,27,28).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 426.48 g/mol, XLogP of 4.37, 6 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)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 134041001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).