2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine

C19H20ClFN4O — CID 167759107

IUPAC2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine
SMILESFc1cc(OCCN2CCC(c3cn4cccnc4n3)CC2)ccc1Cl
InChIInChI=1S/C19H20ClFN4O/c20-16-3-2-15(12-17(16)21)26-11-10-24-8-4-14(5-9-24)18-13-25-7-1-6-22-19(25)23-18/h1-3,6-7,12-14H,4-5,8-11H2
InChIKeyPSRDQTDNDNWJCR-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.78
Rot. Bonds5

About 2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine

2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine (PubChem CID 167759107) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine
PubChem CID167759107
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine
SMILESFc1cc(OCCN2CCC(c3cn4cccnc4n3)CC2)ccc1Cl
InChIInChI=1S/C19H20ClFN4O/c20-16-3-2-15(12-17(16)21)26-11-10-24-8-4-14(5-9-24)18-13-25-7-1-6-22-19(25)23-18/h1-3,6-7,12-14H,4-5,8-11H2
InChIKeyPSRDQTDNDNWJCR-UHFFFAOYSA-N
XLogP3.78
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one
CID 118465787
2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 154801096
1-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylimidazole
CID 82727722
1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39420280
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
1-[4-(4-chloro-3-fluorophenoxy)butyl]-4-[2-(4-methoxyphenyl)phenyl]piperazine
CID 162642955
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine
CID 95839123
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338
7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline
CID 134242877
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine (CID 167759107) is 2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine is Fc1cc(OCCN2CCC(c3cn4cccnc4n3)CC2)ccc1Cl.
What is the InChIKey of 2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is PSRDQTDNDNWJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c20-16-3-2-15(12-17(16)21)26-11-10-24-8-4-14(5-9-24)18-13-25-7-1-6-22-19(25)23-18/h1-3,6-7,12-14H,4-5,8-11H2.
What are the key properties of 2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine?
2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 374.85 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chloro-3-fluorophenoxy)ethyl]piperidin-4-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 167759107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).