benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate

C19H20N4O2 — CID 155564902

IUPACbenzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(c2cn3cccnc3n2)C1
InChIInChI=1S/C19H20N4O2/c24-19(25-14-15-6-2-1-3-7-15)23-10-4-8-16(12-23)17-13-22-11-5-9-20-18(22)21-17/h1-3,5-7,9,11,13,16H,4,8,10,12,14H2
InChIKeyHXLONHYWHNUHJK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.25
Rot. Bonds3

About benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate

benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate (PubChem CID 155564902) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate
PubChem CID155564902
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Namebenzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(c2cn3cccnc3n2)C1
InChIInChI=1S/C19H20N4O2/c24-19(25-14-15-6-2-1-3-7-15)23-10-4-8-16(12-23)17-13-22-11-5-9-20-18(22)21-17/h1-3,5-7,9,11,13,16H,4,8,10,12,14H2
InChIKeyHXLONHYWHNUHJK-UHFFFAOYSA-N
XLogP3.25
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate?
The IUPAC name of benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate (CID 155564902) is benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC(c2cn3cccnc3n2)C1.
What is the InChIKey of benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate?
The InChIKey is HXLONHYWHNUHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(25-14-15-6-2-1-3-7-15)23-10-4-8-16(12-23)17-13-22-11-5-9-20-18(22)21-17/h1-3,5-7,9,11,13,16H,4,8,10,12,14H2.
What are the key properties of benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate?
benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 155564902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).