6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole

C16H11FN4 — CID 122510621

IUPAC6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole
SMILESFc1cccc(-c2nc[nH]c2-c2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C16H11FN4/c17-13-3-1-2-10(6-13)15-16(19-9-18-15)11-4-5-12-8-20-21-14(12)7-11/h1-9H,(H,18,19)(H,20,21)
InChIKeySCIUZYVNHFPRJI-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.76
Rot. Bonds2

About 6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole

6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole (PubChem CID 122510621) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole.

Molecular Properties

Compound Name6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole
PubChem CID122510621
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole
SMILESFc1cccc(-c2nc[nH]c2-c2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C16H11FN4/c17-13-3-1-2-10(6-13)15-16(19-9-18-15)11-4-5-12-8-20-21-14(12)7-11/h1-9H,(H,18,19)(H,20,21)
InChIKeySCIUZYVNHFPRJI-UHFFFAOYSA-N
XLogP3.76
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole?
The IUPAC name of 6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole (CID 122510621) is 6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole.
What is the SMILES notation for 6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole?
The canonical SMILES for 6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole is Fc1cccc(-c2nc[nH]c2-c2ccc3cn[nH]c3c2)c1.
What is the InChIKey of 6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole?
The InChIKey is SCIUZYVNHFPRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c17-13-3-1-2-10(6-13)15-16(19-9-18-15)11-4-5-12-8-20-21-14(12)7-11/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole?
6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole has a molecular weight of 278.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole is sourced from PubChem (CID 122510621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).