methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride

C24H32Cl2N4O2 — CID 2839364

IUPACmethyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride
SMILESCOC(=O)c1c(CN(C)C23CC4CC(CC(C4)C2)C3)nc2n(C)c3ccccc3n12.Cl.Cl
InChIInChI=1S/C24H30N4O2.2ClH/c1-26(24-11-15-8-16(12-24)10-17(9-15)13-24)14-18-21(22(29)30-3)28-20-7-5-4-6-19(20)27(2)23(28)25-18;;/h4-7,15-17H,8-14H2,1-3H3;2*1H
InChIKeyGFLONJCIUPYMAM-UHFFFAOYSA-N
MW479.45 g/mol
LogP4.86
Rot. Bonds4

About methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride

methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride (PubChem CID 2839364) has the molecular formula C24H32Cl2N4O2 and a molecular weight of 479.45 g/mol. Its IUPAC name is methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride
PubChem CID2839364
Molecular FormulaC24H32Cl2N4O2
Molecular Weight479.45 g/mol
Exact Mass478.19
IUPAC Namemethyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride
SMILESCOC(=O)c1c(CN(C)C23CC4CC(CC(C4)C2)C3)nc2n(C)c3ccccc3n12.Cl.Cl
InChIInChI=1S/C24H30N4O2.2ClH/c1-26(24-11-15-8-16(12-24)10-17(9-15)13-24)14-18-21(22(29)30-3)28-20-7-5-4-6-19(20)27(2)23(28)25-18;;/h4-7,15-17H,8-14H2,1-3H3;2*1H
InChIKeyGFLONJCIUPYMAM-UHFFFAOYSA-N
XLogP4.86
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride?
The IUPAC name of methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride (CID 2839364) is methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride?
The canonical SMILES for methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride is COC(=O)c1c(CN(C)C23CC4CC(CC(C4)C2)C3)nc2n(C)c3ccccc3n12.Cl.Cl.
What is the InChIKey of methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride?
The InChIKey is GFLONJCIUPYMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.2ClH/c1-26(24-11-15-8-16(12-24)10-17(9-15)13-24)14-18-21(22(29)30-3)28-20-7-5-4-6-19(20)27(2)23(28)25-18;;/h4-7,15-17H,8-14H2,1-3H3;2*1H.
What are the key properties of methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride?
methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride has a molecular weight of 479.45 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate;dihydrochloride is sourced from PubChem (CID 2839364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).