2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole

C17H10F2N4 — CID 129051782

IUPAC2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole
SMILESFc1cccc(-c2ccc3nc(-c4cccc(F)n4)[nH]c3c2)n1
InChIInChI=1S/C17H10F2N4/c18-15-5-1-3-11(20-15)10-7-8-12-14(9-10)23-17(22-12)13-4-2-6-16(19)21-13/h1-9H,(H,22,23)
InChIKeyNNLYQULXNUJWTI-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.97
Rot. Bonds2

About 2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole

2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole (PubChem CID 129051782) has the molecular formula C17H10F2N4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole
PubChem CID129051782
Molecular FormulaC17H10F2N4
Molecular Weight308.29 g/mol
Exact Mass308.09
IUPAC Name2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole
SMILESFc1cccc(-c2ccc3nc(-c4cccc(F)n4)[nH]c3c2)n1
InChIInChI=1S/C17H10F2N4/c18-15-5-1-3-11(20-15)10-7-8-12-14(9-10)23-17(22-12)13-4-2-6-16(19)21-13/h1-9H,(H,22,23)
InChIKeyNNLYQULXNUJWTI-UHFFFAOYSA-N
XLogP3.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine
CID 143074380
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
2-(3,5-difluorophenyl)-6-fluoropyridine
CID 130334927
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001599
2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
CID 159684416
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole?
The IUPAC name of 2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole (CID 129051782) is 2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole is Fc1cccc(-c2ccc3nc(-c4cccc(F)n4)[nH]c3c2)n1.
What is the InChIKey of 2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole?
The InChIKey is NNLYQULXNUJWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4/c18-15-5-1-3-11(20-15)10-7-8-12-14(9-10)23-17(22-12)13-4-2-6-16(19)21-13/h1-9H,(H,22,23).
What are the key properties of 2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole?
2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole has a molecular weight of 308.29 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 129051782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).