1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone

C22H25N3O2 — CID 55640322

IUPAC1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1cccc(OCC(=O)N2CCCC2c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H25N3O2/c1-15(2)16-7-5-8-17(13-16)27-14-21(26)25-12-6-11-20(25)22-23-18-9-3-4-10-19(18)24-22/h3-5,7-10,13,15,20H,6,11-12,14H2,1-2H3,(H,23,24)
InChIKeyAGRFULCAHUBUKM-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.43
Rot. Bonds5

About 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone (PubChem CID 55640322) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
PubChem CID55640322
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1cccc(OCC(=O)N2CCCC2c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H25N3O2/c1-15(2)16-7-5-8-17(13-16)27-14-21(26)25-12-6-11-20(25)22-23-18-9-3-4-10-19(18)24-22/h3-5,7-10,13,15,20H,6,11-12,14H2,1-2H3,(H,23,24)
InChIKeyAGRFULCAHUBUKM-UHFFFAOYSA-N
XLogP4.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone (CID 55640322) is 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone is CC(C)c1cccc(OCC(=O)N2CCCC2c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone?
The InChIKey is AGRFULCAHUBUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)16-7-5-8-17(13-16)27-14-21(26)25-12-6-11-20(25)22-23-18-9-3-4-10-19(18)24-22/h3-5,7-10,13,15,20H,6,11-12,14H2,1-2H3,(H,23,24).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone?
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone has a molecular weight of 363.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 55640322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).