2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole

C20H13FN4O2 — CID 122447487

IUPAC2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCOc1cc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cnc1F
InChIInChI=1S/C20H13FN4O2/c1-26-17-9-12(10-22-18(17)21)11-6-7-15-16(8-11)27-20(25-15)19-23-13-4-2-3-5-14(13)24-19/h2-10H,1H3,(H,23,24)
InChIKeyRDPSRWDFEHLMLL-UHFFFAOYSA-N
MW360.35 g/mol
LogP4.58
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole (PubChem CID 122447487) has the molecular formula C20H13FN4O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole
PubChem CID122447487
Molecular FormulaC20H13FN4O2
Molecular Weight360.35 g/mol
Exact Mass360.10
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCOc1cc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cnc1F
InChIInChI=1S/C20H13FN4O2/c1-26-17-9-12(10-22-18(17)21)11-6-7-15-16(8-11)27-20(25-15)19-23-13-4-2-3-5-14(13)24-19/h2-10H,1H3,(H,23,24)
InChIKeyRDPSRWDFEHLMLL-UHFFFAOYSA-N
XLogP4.58
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine
CID 122447513
N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-2-chloro-3-pyridinyl]ethanesulfonamide
CID 122447496
2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole;2,2,2-trifluoroacetic acid
CID 122447497
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N-ethylpyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 122447587
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole;bis(2,2,2-trifluoroacetic acid)
CID 122447481
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
N-[5-(4-chloro-3-methoxyphenyl)pyrimidin-2-yl]-1H-benzimidazol-2-amine
CID 155008905

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole (CID 122447487) is 2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole is COc1cc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cnc1F.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The InChIKey is RDPSRWDFEHLMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O2/c1-26-17-9-12(10-22-18(17)21)11-6-7-15-16(8-11)27-20(25-15)19-23-13-4-2-3-5-14(13)24-19/h2-10H,1H3,(H,23,24).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole has a molecular weight of 360.35 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 122447487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).