methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate

C13H13N3O2 — CID 799344

IUPACmethyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(C)c3ccccc3n12
InChIInChI=1S/C13H13N3O2/c1-8-11(12(17)18-3)16-10-7-5-4-6-9(10)15(2)13(16)14-8/h4-7H,1-3H3
InChIKeyYXZFPFVRPAIWBT-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.92
Rot. Bonds1

About methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate

methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 799344) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID799344
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Namemethyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(C)c3ccccc3n12
InChIInChI=1S/C13H13N3O2/c1-8-11(12(17)18-3)16-10-7-5-4-6-9(10)15(2)13(16)14-8/h4-7H,1-3H3
InChIKeyYXZFPFVRPAIWBT-UHFFFAOYSA-N
XLogP1.92
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
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
methyl 2-methyl-9-[2-(morpholin-4-yl)ethyl]-9H-imidazo[1,2-a]benzimidazole-3-carboxylate
CID 4313268
Methyl 2-methyl-4-(quinolin-2-ylmethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
CID 164613014

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate (CID 799344) is methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate is COC(=O)c1c(C)nc2n(C)c3ccccc3n12.
What is the InChIKey of methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is YXZFPFVRPAIWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-11(12(17)18-3)16-10-7-5-4-6-9(10)15(2)13(16)14-8/h4-7H,1-3H3.
What are the key properties of methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate?
methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 243.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 799344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).