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

C19H26N4O2 — CID 767408

IUPACethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCOC(=O)c1c(C)nc2n(CCN(CC)CC)c3ccccc3n12
InChIInChI=1S/C19H26N4O2/c1-5-21(6-2)12-13-22-15-10-8-9-11-16(15)23-17(18(24)25-7-3)14(4)20-19(22)23/h8-11H,5-7,12-13H2,1-4H3
InChIKeyVDBVEQRJHAHJCG-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.12
Rot. Bonds7

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

ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 767408) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID767408
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nameethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCOC(=O)c1c(C)nc2n(CCN(CC)CC)c3ccccc3n12
InChIInChI=1S/C19H26N4O2/c1-5-21(6-2)12-13-22-15-10-8-9-11-16(15)23-17(18(24)25-7-3)14(4)20-19(22)23/h8-11H,5-7,12-13H2,1-4H3
InChIKeyVDBVEQRJHAHJCG-UHFFFAOYSA-N
XLogP3.12
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Methyl 2-methyl-9-propyl-9H-imidazo[1,2-A][1,3]benzimidazole-3-carboxylate
CID 761903
Methyl 2,9-dimethyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylate
CID 799344
1-{9-[2-(diethylamino)ethyl]-2-methyl-9H-imidazo[1,2-a]benzimidazol-3-yl}ethanone
CID 3907670
Methyl 4-[2-(azepan-1-yl)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
CID 164615425
methyl 2-methyl-9-[2-(1-piperidinyl)ethyl]-9H-imidazo[1,2-a]benzimidazole-3-carboxylate
CID 799352
1-(2,9-dimethyl-9H-imidazo[1,2-a]benzimidazol-3-yl)ethanone
CID 799634
9H-Imidazo(1,2-a)benzimidazole-3-carboxylic acid, 9-(2-(diethylamino)ethyl)-2-methyl-, methyl ester, dihydrochloride
CID 218994
9H-Imidazo(1,2-a)benzimidazole-3-carboxylic acid, 9-methyl-2-((methyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)methyl)-, methyl ester, dihydrochloride
CID 2839364
Butanoic acid, (2,3-dihydrooxazolo(3,2-a)benzimidazol-2-yl)methyl ester
CID 3060870
9H-Imidazo(1,2-a)benzimidazole-3-carboxylic acid, 9-methyl-2-((methyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)methyl)-, ethyl ester, dihydrobromide
CID 3088770
9H-Imidazo(1,2-a)benzimidazole-3-carboxylic acid, 9-butyl-2-((methyltricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)methyl)-, methyl ester, dihydrochloride
CID 3088772

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate (CID 767408) is ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate is CCOC(=O)c1c(C)nc2n(CCN(CC)CC)c3ccccc3n12.
What is the InChIKey of ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is VDBVEQRJHAHJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-21(6-2)12-13-22-15-10-8-9-11-16(15)23-17(18(24)25-7-3)14(4)20-19(22)23/h8-11H,5-7,12-13H2,1-4H3.
What are the key properties of ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate?
ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 767408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).