6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine

C20H14ClF2N3O — CID 122506754

IUPAC6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(OCc2cn3cc(-c4ccc(F)cc4CCl)cnc3n2)cc1
InChIInChI=1S/C20H14ClF2N3O/c21-8-13-7-16(23)3-6-19(13)14-9-24-20-25-17(11-26(20)10-14)12-27-18-4-1-15(22)2-5-18/h1-7,9-11H,8,12H2
InChIKeyTWVLLVICEGLQRC-UHFFFAOYSA-N
MW385.80 g/mol
LogP4.99
Rot. Bonds5

About 6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine

6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122506754) has the molecular formula C20H14ClF2N3O and a molecular weight of 385.80 g/mol. Its IUPAC name is 6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
PubChem CID122506754
Molecular FormulaC20H14ClF2N3O
Molecular Weight385.80 g/mol
Exact Mass385.08
IUPAC Name6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(OCc2cn3cc(-c4ccc(F)cc4CCl)cnc3n2)cc1
InChIInChI=1S/C20H14ClF2N3O/c21-8-13-7-16(23)3-6-19(13)14-9-24-20-25-17(11-26(20)10-14)12-27-18-4-1-15(22)2-5-18/h1-7,9-11H,8,12H2
InChIKeyTWVLLVICEGLQRC-UHFFFAOYSA-N
XLogP4.99
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine
CID 134179385
2-[(4-Chloro-2-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 700198
5-(2-Phenoxyethyl)-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 10470968
4-[5-(4-Fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
CID 10761882
(5-(2,6-Difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11552953
(5-(3-Fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11639131
(5-(4-Chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11696912
5-[2-(4-Benzyl-phenoxy)-ethyl]-5H-imidazo[4,5-c]pyridine
CID 18678160
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]pyridine
CID 18678176
3-[2-(4-Benzyl-phenoxy)-ethyl]-3H-imidazo[4,5-c]pyridine
CID 18678179
2,3-Dimethyl-8-(2,6-dimethylbenzyloxy)imidazo[1,2-a]pyridine
CID 21717336
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]pyridine 5-oxide
CID 23553327

Frequently Asked Questions

What is the IUPAC name of 6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine (CID 122506754) is 6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine is Fc1ccc(OCc2cn3cc(-c4ccc(F)cc4CCl)cnc3n2)cc1.
What is the InChIKey of 6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is TWVLLVICEGLQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3O/c21-8-13-7-16(23)3-6-19(13)14-9-24-20-25-17(11-26(20)10-14)12-27-18-4-1-15(22)2-5-18/h1-7,9-11H,8,12H2.
What are the key properties of 6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 385.80 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).