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

C16H10F2N4 — CID 122510894

IUPAC6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole
SMILESFc1ccc(-c2nc[nH]c2-c2ccc3cn[nH]c3c2)cc1F
InChIInChI=1S/C16H10F2N4/c17-12-4-3-9(5-13(12)18)15-16(20-8-19-15)10-1-2-11-7-21-22-14(11)6-10/h1-8H,(H,19,20)(H,21,22)
InChIKeyBZVUIERTZMSASW-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.90
Rot. Bonds2

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

6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole (PubChem CID 122510894) has the molecular formula C16H10F2N4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole.

Molecular Properties

Compound Name6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole
PubChem CID122510894
Molecular FormulaC16H10F2N4
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Name6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole
SMILESFc1ccc(-c2nc[nH]c2-c2ccc3cn[nH]c3c2)cc1F
InChIInChI=1S/C16H10F2N4/c17-12-4-3-9(5-13(12)18)15-16(20-8-19-15)10-1-2-11-7-21-22-14(11)6-10/h1-8H,(H,19,20)(H,21,22)
InChIKeyBZVUIERTZMSASW-UHFFFAOYSA-N
XLogP3.90
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.90
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)-1H-imidazol-5-yl]-1H-indazole?
The IUPAC name of 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole (CID 122510894) is 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole.
What is the SMILES notation for 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole?
The canonical SMILES for 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole is Fc1ccc(-c2nc[nH]c2-c2ccc3cn[nH]c3c2)cc1F.
What is the InChIKey of 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole?
The InChIKey is BZVUIERTZMSASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4/c17-12-4-3-9(5-13(12)18)15-16(20-8-19-15)10-1-2-11-7-21-22-14(11)6-10/h1-8H,(H,19,20)(H,21,22).
What are the key properties of 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole?
6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole has a molecular weight of 296.28 g/mol, XLogP of 3.90, 2 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)-1H-imidazol-5-yl]-1H-indazole is sourced from PubChem (CID 122510894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).