benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate

C24H28N4O2 — CID 164621164

IUPACbenzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)OCc3ccccc3)c(C)nc12
InChIInChI=1S/C24H28N4O2/c1-4-26(5-2)15-16-27-20-13-9-10-14-21(20)28-22(18(3)25-24(27)28)23(29)30-17-19-11-7-6-8-12-19/h6-14H,4-5,15-17H2,1-3H3
InChIKeyUTPVFEBUBFPESV-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.30
Rot. Bonds8

About benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate

benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 164621164) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID164621164
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Namebenzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)OCc3ccccc3)c(C)nc12
InChIInChI=1S/C24H28N4O2/c1-4-26(5-2)15-16-27-20-13-9-10-14-21(20)28-22(18(3)25-24(27)28)23(29)30-17-19-11-7-6-8-12-19/h6-14H,4-5,15-17H2,1-3H3
InChIKeyUTPVFEBUBFPESV-UHFFFAOYSA-N
XLogP4.30
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate 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 benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate (CID 164621164) is benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate is CCN(CC)CCn1c2ccccc2n2c(C(=O)OCc3ccccc3)c(C)nc12.
What is the InChIKey of benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is UTPVFEBUBFPESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-26(5-2)15-16-27-20-13-9-10-14-21(20)28-22(18(3)25-24(27)28)23(29)30-17-19-11-7-6-8-12-19/h6-14H,4-5,15-17H2,1-3H3.
What are the key properties of benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 164621164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).