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

C24H28N4O2 — CID 19959692

IUPACethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCOC(=O)c1c(CN(CC)CC)nc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C24H28N4O2/c1-4-26(5-2)17-19-22(23(29)30-6-3)28-21-15-11-10-14-20(21)27(24(28)25-19)16-18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
InChIKeyJNCBTEGOQVCTPM-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.36
Rot. Bonds8

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

ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 19959692) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID19959692
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Nameethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCOC(=O)c1c(CN(CC)CC)nc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C24H28N4O2/c1-4-26(5-2)17-19-22(23(29)30-6-3)28-21-15-11-10-14-20(21)27(24(28)25-19)16-18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
InChIKeyJNCBTEGOQVCTPM-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate
CID 54554516
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate
CID 46929836
N-[(4-benzylimidazo[1,2-a]benzimidazol-2-yl)methyl]-N-ethylethanamine;dihydrochloride
CID 19040897
1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone
CID 1206183
ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
ethyl 1-benzoyl-4-benzyl-3-phenylpyrrolo[1,2-a]benzimidazole-2-carboxylate
CID 56931222
ethyl 4-benzyl-1,2,4-triazole-3-carboxylate
CID 172839532
1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 3804528
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride
CID 52994941
ethyl 5-benzyl-4-(hydroxymethyl)pyrimido[5,4-b]indole-2-carboxylate
CID 134840109

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate (CID 19959692) is ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate is CCOC(=O)c1c(CN(CC)CC)nc2n(Cc3ccccc3)c3ccccc3n12.
What is the InChIKey of ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is JNCBTEGOQVCTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-26(5-2)17-19-22(23(29)30-6-3)28-21-15-11-10-14-20(21)27(24(28)25-19)16-18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3.
What are the key properties of ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 19959692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).