2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole

C15H14ClFN4O — CID 56873156

IUPAC2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole
SMILESCOc1c(F)cc(-c2nccn2CCn2cccn2)cc1Cl
InChIInChI=1S/C15H14ClFN4O/c1-22-14-12(16)9-11(10-13(14)17)15-18-4-6-20(15)7-8-21-5-2-3-19-21/h2-6,9-10H,7-8H2,1H3
InChIKeyYTOLZEJDESROIM-UHFFFAOYSA-N
MW320.76 g/mol
LogP3.25
Rot. Bonds5

About 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole

2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole (PubChem CID 56873156) has the molecular formula C15H14ClFN4O and a molecular weight of 320.76 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole
PubChem CID56873156
Molecular FormulaC15H14ClFN4O
Molecular Weight320.76 g/mol
Exact Mass320.08
IUPAC Name2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole
SMILESCOc1c(F)cc(-c2nccn2CCn2cccn2)cc1Cl
InChIInChI=1S/C15H14ClFN4O/c1-22-14-12(16)9-11(10-13(14)17)15-18-4-6-20(15)7-8-21-5-2-3-19-21/h2-6,9-10H,7-8H2,1H3
InChIKeyYTOLZEJDESROIM-UHFFFAOYSA-N
XLogP3.25
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole?
The IUPAC name of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole (CID 56873156) is 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole.
What is the SMILES notation for 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole?
The canonical SMILES for 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole is COc1c(F)cc(-c2nccn2CCn2cccn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole?
The InChIKey is YTOLZEJDESROIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O/c1-22-14-12(16)9-11(10-13(14)17)15-18-4-6-20(15)7-8-21-5-2-3-19-21/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole?
2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole has a molecular weight of 320.76 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)imidazole is sourced from PubChem (CID 56873156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).