3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole

C14H9FN4 — CID 135820247

IUPAC3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
SMILESFc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C14H9FN4/c15-8-5-6-10-9(7-8)13(19-18-10)14-16-11-3-1-2-4-12(11)17-14/h1-7H,(H,16,17)(H,18,19)
InChIKeyUSPIXNWCPDSSHC-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.25
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole

3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole (PubChem CID 135820247) has the molecular formula C14H9FN4 and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
PubChem CID135820247
Molecular FormulaC14H9FN4
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Name3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
SMILESFc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C14H9FN4/c15-8-5-6-10-9(7-8)13(19-18-10)14-16-11-3-1-2-4-12(11)17-14/h1-7H,(H,16,17)(H,18,19)
InChIKeyUSPIXNWCPDSSHC-UHFFFAOYSA-N
XLogP3.25
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
CID 141037146
3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole
CID 135486180
2-(6-fluoro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820256
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355
2-(5-fluoro-1H-indazol-3-yl)-N-(2-pyridin-3-ylethyl)-3H-benzimidazol-5-amine
CID 135820349
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]ethenesulfonamide
CID 175420261
N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 135444767
3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 11451717
2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole
CID 168553559
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563
2-(6-fluoro-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820020

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole (CID 135820247) is 3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole is Fc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole?
The InChIKey is USPIXNWCPDSSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4/c15-8-5-6-10-9(7-8)13(19-18-10)14-16-11-3-1-2-4-12(11)17-14/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole?
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole has a molecular weight of 252.25 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole is sourced from PubChem (CID 135820247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).