6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole

C18H14F2N4 — CID 122510760

IUPAC6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole
SMILESCCc1nc(-c2ccc(F)c(F)c2)c(-c2ccc3cn[nH]c3c2)[nH]1
InChIInChI=1S/C18H14F2N4/c1-2-16-22-17(10-5-6-13(19)14(20)7-10)18(23-16)11-3-4-12-9-21-24-15(12)8-11/h3-9H,2H2,1H3,(H,21,24)(H,22,23)
InChIKeyOMUULXNVEBKCHL-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.46
Rot. Bonds3

About 6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole

6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole (PubChem CID 122510760) has the molecular formula C18H14F2N4 and a molecular weight of 324.33 g/mol. Its IUPAC name is 6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole.

Molecular Properties

Compound Name6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole
PubChem CID122510760
Molecular FormulaC18H14F2N4
Molecular Weight324.33 g/mol
Exact Mass324.12
IUPAC Name6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole
SMILESCCc1nc(-c2ccc(F)c(F)c2)c(-c2ccc3cn[nH]c3c2)[nH]1
InChIInChI=1S/C18H14F2N4/c1-2-16-22-17(10-5-6-13(19)14(20)7-10)18(23-16)11-3-4-12-9-21-24-15(12)8-11/h3-9H,2H2,1H3,(H,21,24)(H,22,23)
InChIKeyOMUULXNVEBKCHL-UHFFFAOYSA-N
XLogP4.46
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole?
The IUPAC name of 6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole (CID 122510760) is 6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole.
What is the SMILES notation for 6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole?
The canonical SMILES for 6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole is CCc1nc(-c2ccc(F)c(F)c2)c(-c2ccc3cn[nH]c3c2)[nH]1.
What is the InChIKey of 6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole?
The InChIKey is OMUULXNVEBKCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4/c1-2-16-22-17(10-5-6-13(19)14(20)7-10)18(23-16)11-3-4-12-9-21-24-15(12)8-11/h3-9H,2H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole?
6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole has a molecular weight of 324.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole is sourced from PubChem (CID 122510760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).