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

C25H30N4O2 — CID 54554516

IUPACethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCOC(=O)c1c(CCN(CC)CC)nc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C25H30N4O2/c1-4-27(5-2)17-16-20-23(24(30)31-6-3)29-22-15-11-10-14-21(22)28(25(29)26-20)18-19-12-8-7-9-13-19/h7-15H,4-6,16-18H2,1-3H3
InChIKeyZMFIKJWJYDFTHI-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.40
Rot. Bonds9

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

ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 54554516) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID54554516
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Nameethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCOC(=O)c1c(CCN(CC)CC)nc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C25H30N4O2/c1-4-27(5-2)17-16-20-23(24(30)31-6-3)29-22-15-11-10-14-21(22)28(25(29)26-20)18-19-12-8-7-9-13-19/h7-15H,4-6,16-18H2,1-3H3
InChIKeyZMFIKJWJYDFTHI-UHFFFAOYSA-N
XLogP4.40
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate (CID 54554516) is ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate is CCOC(=O)c1c(CCN(CC)CC)nc2n(Cc3ccccc3)c3ccccc3n12.
What is the InChIKey of ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is ZMFIKJWJYDFTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-4-27(5-2)17-16-20-23(24(30)31-6-3)29-22-15-11-10-14-21(22)28(25(29)26-20)18-19-12-8-7-9-13-19/h7-15H,4-6,16-18H2,1-3H3.
What are the key properties of ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate?
ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 418.54 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 54554516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).