5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole

C18H11F2N3 — CID 166873941

IUPAC5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2cc1F
InChIInChI=1S/C18H11F2N3/c19-14-8-16-17(9-15(14)20)23-18(22-16)12-5-3-11(4-6-12)13-2-1-7-21-10-13/h1-10H,(H,22,23)
InChIKeyCBUGLWORAQRPQK-UHFFFAOYSA-N
MW307.30 g/mol
LogP4.57
Rot. Bonds2

About 5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole

5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole (PubChem CID 166873941) has the molecular formula C18H11F2N3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
PubChem CID166873941
Molecular FormulaC18H11F2N3
Molecular Weight307.30 g/mol
Exact Mass307.09
IUPAC Name5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2cc1F
InChIInChI=1S/C18H11F2N3/c19-14-8-16-17(9-15(14)20)23-18(22-16)12-5-3-11(4-6-12)13-2-1-7-21-10-13/h1-10H,(H,22,23)
InChIKeyCBUGLWORAQRPQK-UHFFFAOYSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole (CID 166873941) is 5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole is Fc1cc2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole?
The InChIKey is CBUGLWORAQRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3/c19-14-8-16-17(9-15(14)20)23-18(22-16)12-5-3-11(4-6-12)13-2-1-7-21-10-13/h1-10H,(H,22,23).
What are the key properties of 5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole?
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole has a molecular weight of 307.30 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole is sourced from PubChem (CID 166873941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).