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

C15H18ClN3O2 — CID 2859222

IUPACmethyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride
SMILESCCCn1c2ccccc2n2c(C(=O)OC)c(C)nc12.Cl
InChIInChI=1S/C15H17N3O2.ClH/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;1H
InChIKeyGEXYBCFXAGLLOH-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.22
Rot. Bonds3

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

methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride (PubChem CID 2859222) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride
PubChem CID2859222
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Namemethyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride
SMILESCCCn1c2ccccc2n2c(C(=O)OC)c(C)nc12.Cl
InChIInChI=1S/C15H17N3O2.ClH/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;1H
InChIKeyGEXYBCFXAGLLOH-UHFFFAOYSA-N
XLogP3.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
CID 2858506
1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride
CID 52994941
(4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone
CID 2859585
methyl 2-methylimidazo[1,2-a]quinoline-1-carboxylate
CID 102431480
1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate
CID 54334457
1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone
CID 1206183
methyl 2-[2-(2-imino-3-propylbenzimidazol-1-yl)acetyl]benzoate;hydrobromide
CID 44889409
2-[(4-propyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid
CID 91927559
ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
CID 19959692
ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate
CID 54554516
3-methoxy-1-propylindole-2-carboxylic acid
CID 154108725
1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
CID 1043076

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride?
The IUPAC name of methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride (CID 2859222) is methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride is CCCn1c2ccccc2n2c(C(=O)OC)c(C)nc12.Cl.
What is the InChIKey of methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride?
The InChIKey is GEXYBCFXAGLLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH/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;1H.
What are the key properties of methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride?
methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 3.22, 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;hydrochloride is sourced from PubChem (CID 2859222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).