2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine

C18H12ClFN4O — CID 122506616

IUPAC2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(COc4ccnc(Cl)c4)cn3c2)cc1
InChIInChI=1S/C18H12ClFN4O/c19-17-7-16(5-6-21-17)25-11-15-10-24-9-13(8-22-18(24)23-15)12-1-3-14(20)4-2-12/h1-10H,11H2
InChIKeyRGKVUQCYTIIDCX-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.16
Rot. Bonds4

About 2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine

2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine (PubChem CID 122506616) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine
PubChem CID122506616
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC Name2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(COc4ccnc(Cl)c4)cn3c2)cc1
InChIInChI=1S/C18H12ClFN4O/c19-17-7-16(5-6-21-17)25-11-15-10-24-9-13(8-22-18(24)23-15)12-1-3-14(20)4-2-12/h1-10H,11H2
InChIKeyRGKVUQCYTIIDCX-UHFFFAOYSA-N
XLogP4.16
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine (CID 122506616) is 2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine is Fc1ccc(-c2cnc3nc(COc4ccnc(Cl)c4)cn3c2)cc1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is RGKVUQCYTIIDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c19-17-7-16(5-6-21-17)25-11-15-10-24-9-13(8-22-18(24)23-15)12-1-3-14(20)4-2-12/h1-10H,11H2.
What are the key properties of 2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine?
2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 354.77 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).