[4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate

C22H27N3O2 — CID 10133443

IUPAC[4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate
SMILESCN(C)CCn1c(-c2ccc(OC(=O)C(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-22(2,3)21(26)27-17-12-10-16(11-13-17)20-23-18-8-6-7-9-19(18)25(20)15-14-24(4)5/h6-13H,14-15H2,1-5H3
InChIKeyRBYOARSVZZODCA-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.22
Rot. Bonds5

About [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate

[4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate (PubChem CID 10133443) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate
PubChem CID10133443
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate
SMILESCN(C)CCn1c(-c2ccc(OC(=O)C(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-22(2,3)21(26)27-17-12-10-16(11-13-17)20-23-18-8-6-7-9-19(18)25(20)15-14-24(4)5/h6-13H,14-15H2,1-5H3
InChIKeyRBYOARSVZZODCA-UHFFFAOYSA-N
XLogP4.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate 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 [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate (CID 10133443) is [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate is CN(C)CCn1c(-c2ccc(OC(=O)C(C)(C)C)cc2)nc2ccccc21.
What is the InChIKey of [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate?
The InChIKey is RBYOARSVZZODCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(2,3)21(26)27-17-12-10-16(11-13-17)20-23-18-8-6-7-9-19(18)25(20)15-14-24(4)5/h6-13H,14-15H2,1-5H3.
What are the key properties of [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate?
[4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate has a molecular weight of 365.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10133443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).