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

C21H30N4O2 — CID 164615919

IUPACtert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)OC(C)(C)C)c(C)nc12
InChIInChI=1S/C21H30N4O2/c1-7-23(8-2)13-14-24-16-11-9-10-12-17(16)25-18(15(3)22-20(24)25)19(26)27-21(4,5)6/h9-12H,7-8,13-14H2,1-6H3
InChIKeyTWGDSFWPUAFLMY-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.89
Rot. Bonds6

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

tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 164615919) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID164615919
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Nametert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)OC(C)(C)C)c(C)nc12
InChIInChI=1S/C21H30N4O2/c1-7-23(8-2)13-14-24-16-11-9-10-12-17(16)25-18(15(3)22-20(24)25)19(26)27-21(4,5)6/h9-12H,7-8,13-14H2,1-6H3
InChIKeyTWGDSFWPUAFLMY-UHFFFAOYSA-N
XLogP3.89
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate (CID 164615919) is tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate is CCN(CC)CCn1c2ccccc2n2c(C(=O)OC(C)(C)C)c(C)nc12.
What is the InChIKey of tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is TWGDSFWPUAFLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-7-23(8-2)13-14-24-16-11-9-10-12-17(16)25-18(15(3)22-20(24)25)19(26)27-21(4,5)6/h9-12H,7-8,13-14H2,1-6H3.
What are the key properties of tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 370.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 164615919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).