1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole

C18H20F2N4O — CID 56870333

IUPAC1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole
SMILESCOc1ccc(F)c(F)c1-c1nccn1C(C)Cn1nc(C)cc1C
InChIInChI=1S/C18H20F2N4O/c1-11-9-12(2)24(22-11)10-13(3)23-8-7-21-18(23)16-15(25-4)6-5-14(19)17(16)20/h5-9,13H,10H2,1-4H3
InChIKeyVCZRMOMVIXMNSN-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole

1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole (PubChem CID 56870333) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole
PubChem CID56870333
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole
SMILESCOc1ccc(F)c(F)c1-c1nccn1C(C)Cn1nc(C)cc1C
InChIInChI=1S/C18H20F2N4O/c1-11-9-12(2)24(22-11)10-13(3)23-8-7-21-18(23)16-15(25-4)6-5-14(19)17(16)20/h5-9,13H,10H2,1-4H3
InChIKeyVCZRMOMVIXMNSN-UHFFFAOYSA-N
XLogP3.91
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole (CID 56870333) is 1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole is COc1ccc(F)c(F)c1-c1nccn1C(C)Cn1nc(C)cc1C.
What is the InChIKey of 1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole?
The InChIKey is VCZRMOMVIXMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-11-9-12(2)24(22-11)10-13(3)23-8-7-21-18(23)16-15(25-4)6-5-14(19)17(16)20/h5-9,13H,10H2,1-4H3.
What are the key properties of 1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole?
1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole has a molecular weight of 346.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 56870333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).