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

C15H17N3O2 — CID 761903

IUPACmethyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCCn1c2ccccc2n2c(C(=O)OC)c(C)nc12
InChIInChI=1S/C15H17N3O2/c1-4-9-17-11-7-5-6-8-12(11)18-13(14(19)20-3)10(2)16-15(17)18/h5-8H,4,9H2,1-3H3
InChIKeyAESMAPYXTQULCX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.79
Rot. Bonds3

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

methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 761903) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID761903
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCCn1c2ccccc2n2c(C(=O)OC)c(C)nc12
InChIInChI=1S/C15H17N3O2/c1-4-9-17-11-7-5-6-8-12(11)18-13(14(19)20-3)10(2)16-15(17)18/h5-8H,4,9H2,1-3H3
InChIKeyAESMAPYXTQULCX-UHFFFAOYSA-N
XLogP2.79
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.79
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 2,9-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
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-propylimidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate (CID 761903) is methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate is CCCn1c2ccccc2n2c(C(=O)OC)c(C)nc12.
What is the InChIKey of methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is AESMAPYXTQULCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-9-17-11-7-5-6-8-12(11)18-13(14(19)20-3)10(2)16-15(17)18/h5-8H,4,9H2,1-3H3.
What are the key properties of methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate?
methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 761903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).