methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate

C18H22N4O3 — CID 4313268

IUPACmethyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(CCN3CCOCC3)c3ccccc3n12
InChIInChI=1S/C18H22N4O3/c1-13-16(17(23)24-2)22-15-6-4-3-5-14(15)21(18(22)19-13)8-7-20-9-11-25-12-10-20/h3-6H,7-12H2,1-2H3
InChIKeyBHTUOEBCWIBCMO-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate

methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 4313268) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID4313268
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namemethyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(CCN3CCOCC3)c3ccccc3n12
InChIInChI=1S/C18H22N4O3/c1-13-16(17(23)24-2)22-15-6-4-3-5-14(15)21(18(22)19-13)8-7-20-9-11-25-12-10-20/h3-6H,7-12H2,1-2H3
InChIKeyBHTUOEBCWIBCMO-UHFFFAOYSA-N
XLogP1.72
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 127045356
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
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
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
ethyl 9-[2-(diethylamino)ethyl]-2-methyl-9H-imidazo[1,2-a]benzimidazole-3-carboxylate
CID 767408

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate (CID 4313268) is methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate is COC(=O)c1c(C)nc2n(CCN3CCOCC3)c3ccccc3n12.
What is the InChIKey of methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is BHTUOEBCWIBCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-16(17(23)24-2)22-15-6-4-3-5-14(15)21(18(22)19-13)8-7-20-9-11-25-12-10-20/h3-6H,7-12H2,1-2H3.
What are the key properties of methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 4313268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).