2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine

C18H20N4 — CID 122183039

IUPAC2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2nc3ncccn3c2CN2CCCCC2)cc1
InChIInChI=1S/C18H20N4/c1-3-8-15(9-4-1)17-16(14-21-11-5-2-6-12-21)22-13-7-10-19-18(22)20-17/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKeyIRCHGQWLOMKSBX-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.38
Rot. Bonds3

About 2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine

2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 122183039) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID122183039
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2nc3ncccn3c2CN2CCCCC2)cc1
InChIInChI=1S/C18H20N4/c1-3-8-15(9-4-1)17-16(14-21-11-5-2-6-12-21)22-13-7-10-19-18(22)20-17/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKeyIRCHGQWLOMKSBX-UHFFFAOYSA-N
XLogP3.38
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183047
4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]morpholine
CID 122183034
(5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 95211797
2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 70726889
2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)ethanamine
CID 82292189
5-methyl-3-[1-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 77090261
2-(azepan-1-ylmethyl)-3-bromoimidazo[1,2-a]pyrimidine
CID 23965064
(3R)-1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidine-3-carboxylic acid
CID 40638692
1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid
CID 16740856
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146463144
3-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidine;dihydrochloride
CID 142494523
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline
CID 3615651

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine (CID 122183039) is 2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine is c1ccc(-c2nc3ncccn3c2CN2CCCCC2)cc1.
What is the InChIKey of 2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is IRCHGQWLOMKSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-3-8-15(9-4-1)17-16(14-21-11-5-2-6-12-21)22-13-7-10-19-18(22)20-17/h1,3-4,7-10,13H,2,5-6,11-12,14H2.
What are the key properties of 2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 292.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).