1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole

C21H13ClFN5 — CID 22031253

IUPAC1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole
SMILESFc1ccccc1-c1[nH]ncc1-c1ccc2ncn(-c3ccc(Cl)cn3)c2c1
InChIInChI=1S/C21H13ClFN5/c22-14-6-8-20(24-10-14)28-12-25-18-7-5-13(9-19(18)28)16-11-26-27-21(16)15-3-1-2-4-17(15)23/h1-12H,(H,26,27)
InChIKeyLRLZMEGEUXRRQJ-UHFFFAOYSA-N
MW389.82 g/mol
LogP5.27
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole

1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole (PubChem CID 22031253) has the molecular formula C21H13ClFN5 and a molecular weight of 389.82 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole
PubChem CID22031253
Molecular FormulaC21H13ClFN5
Molecular Weight389.82 g/mol
Exact Mass389.08
IUPAC Name1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole
SMILESFc1ccccc1-c1[nH]ncc1-c1ccc2ncn(-c3ccc(Cl)cn3)c2c1
InChIInChI=1S/C21H13ClFN5/c22-14-6-8-20(24-10-14)28-12-25-18-7-5-13(9-19(18)28)16-11-26-27-21(16)15-3-1-2-4-17(15)23/h1-12H,(H,26,27)
InChIKeyLRLZMEGEUXRRQJ-UHFFFAOYSA-N
XLogP5.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.82
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole (CID 22031253) is 1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole is Fc1ccccc1-c1[nH]ncc1-c1ccc2ncn(-c3ccc(Cl)cn3)c2c1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole?
The InChIKey is LRLZMEGEUXRRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5/c22-14-6-8-20(24-10-14)28-12-25-18-7-5-13(9-19(18)28)16-11-26-27-21(16)15-3-1-2-4-17(15)23/h1-12H,(H,26,27).
What are the key properties of 1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole?
1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole has a molecular weight of 389.82 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]benzimidazole is sourced from PubChem (CID 22031253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).