3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole

C14H8ClFN4 — CID 135820419

IUPAC3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
SMILESFc1ccc2[nH]nc(-c3nc4ccc(Cl)cc4[nH]3)c2c1
InChIInChI=1S/C14H8ClFN4/c15-7-1-3-11-12(5-7)18-14(17-11)13-9-6-8(16)2-4-10(9)19-20-13/h1-6H,(H,17,18)(H,19,20)
InChIKeyKITMUFANRSRDRR-UHFFFAOYSA-N
MW286.70 g/mol
LogP3.90
Rot. Bonds1

About 3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole

3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole (PubChem CID 135820419) has the molecular formula C14H8ClFN4 and a molecular weight of 286.70 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
PubChem CID135820419
Molecular FormulaC14H8ClFN4
Molecular Weight286.70 g/mol
Exact Mass286.04
IUPAC Name3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
SMILESFc1ccc2[nH]nc(-c3nc4ccc(Cl)cc4[nH]3)c2c1
InChIInChI=1S/C14H8ClFN4/c15-7-1-3-11-12(5-7)18-14(17-11)13-9-6-8(16)2-4-10(9)19-20-13/h1-6H,(H,17,18)(H,19,20)
InChIKeyKITMUFANRSRDRR-UHFFFAOYSA-N
XLogP3.90
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.70
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-((6-chloro-1H-benzo[d]imidazol-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamidine
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2-(3,5-Diphenyl-1H-pyrazol-4-yl)-1H-benzoimidazole
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6-Chloro-2-phenyl-1H-benzimidazole
CID 21041
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CID 9641618
CID 9641618
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-benzimidazol-2-amine
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N-[(Z)-[2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethylidene]amino]aniline
CID 9679510
3-(6-chloro-1H-benzimidazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
CID 44525866
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazole
CID 2305032

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole (CID 135820419) is 3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole is Fc1ccc2[nH]nc(-c3nc4ccc(Cl)cc4[nH]3)c2c1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole?
The InChIKey is KITMUFANRSRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN4/c15-7-1-3-11-12(5-7)18-14(17-11)13-9-6-8(16)2-4-10(9)19-20-13/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole?
3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole has a molecular weight of 286.70 g/mol, XLogP of 3.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole is sourced from PubChem (CID 135820419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).