2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine

C19H22N4O — CID 123428356

IUPAC2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine
SMILESCCCOc1ccc(-c2cn3ccc(N4CCCC4)nc3n2)cc1
InChIInChI=1S/C19H22N4O/c1-2-13-24-16-7-5-15(6-8-16)17-14-23-12-9-18(21-19(23)20-17)22-10-3-4-11-22/h5-9,12,14H,2-4,10-11,13H2,1H3
InChIKeyNUMNLAALVRBLTA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.79
Rot. Bonds5

About 2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine

2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine (PubChem CID 123428356) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine
PubChem CID123428356
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine
SMILESCCCOc1ccc(-c2cn3ccc(N4CCCC4)nc3n2)cc1
InChIInChI=1S/C19H22N4O/c1-2-13-24-16-7-5-15(6-8-16)17-14-23-12-9-18(21-19(23)20-17)22-10-3-4-11-22/h5-9,12,14H,2-4,10-11,13H2,1H3
InChIKeyNUMNLAALVRBLTA-UHFFFAOYSA-N
XLogP3.79
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-fluoroethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine
CID 86342243
7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine
CID 86342419
4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
CID 86342283
7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol
CID 118976035
7-(4-fluoropiperidin-1-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 86342247
1-[4-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]ethanone
CID 155566559
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
4-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
CID 86342378
7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine
CID 86280945
N-ethyl-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine
CID 86342185
7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine
CID 86342279
6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 19224481

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine (CID 123428356) is 2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine is CCCOc1ccc(-c2cn3ccc(N4CCCC4)nc3n2)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine?
The InChIKey is NUMNLAALVRBLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-13-24-16-7-5-15(6-8-16)17-14-23-12-9-18(21-19(23)20-17)22-10-3-4-11-22/h5-9,12,14H,2-4,10-11,13H2,1H3.
What are the key properties of 2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine?
2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine has a molecular weight of 322.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 123428356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).