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

C19H24N4O2 — CID 799352

IUPACmethyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(CCN3CCCCC3)c3ccccc3n12
InChIInChI=1S/C19H24N4O2/c1-14-17(18(24)25-2)23-16-9-5-4-8-15(16)22(19(23)20-14)13-12-21-10-6-3-7-11-21/h4-5,8-9H,3,6-7,10-13H2,1-2H3
InChIKeyNZRZKCJLERQPBU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.87
Rot. Bonds4

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

methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 799352) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID799352
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namemethyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(CCN3CCCCC3)c3ccccc3n12
InChIInChI=1S/C19H24N4O2/c1-14-17(18(24)25-2)23-16-9-5-4-8-15(16)22(19(23)20-14)13-12-21-10-6-3-7-11-21/h4-5,8-9H,3,6-7,10-13H2,1-2H3
InChIKeyNZRZKCJLERQPBU-UHFFFAOYSA-N
XLogP2.87
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate (CID 799352) is methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate is COC(=O)c1c(C)nc2n(CCN3CCCCC3)c3ccccc3n12.
What is the InChIKey of methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is NZRZKCJLERQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-17(18(24)25-2)23-16-9-5-4-8-15(16)22(19(23)20-14)13-12-21-10-6-3-7-11-21/h4-5,8-9H,3,6-7,10-13H2,1-2H3.
What are the key properties of methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate?
methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 799352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).