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

C20H13FN4O2 — CID 122447488

IUPAC2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4nc5ccc(F)cc5[nH]4)oc3c2)c1
InChIInChI=1S/C20H13FN4O2/c1-26-14-6-12(9-22-10-14)11-2-4-16-18(7-11)27-20(25-16)19-23-15-5-3-13(21)8-17(15)24-19/h2-10H,1H3,(H,23,24)
InChIKeyDMPXWEGEZRFAQS-UHFFFAOYSA-N
MW360.35 g/mol
LogP4.58
Rot. Bonds3

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

2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole (PubChem CID 122447488) has the molecular formula C20H13FN4O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
PubChem CID122447488
Molecular FormulaC20H13FN4O2
Molecular Weight360.35 g/mol
Exact Mass360.10
IUPAC Name2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole
SMILESCOc1cncc(-c2ccc3nc(-c4nc5ccc(F)cc5[nH]4)oc3c2)c1
InChIInChI=1S/C20H13FN4O2/c1-26-14-6-12(9-22-10-14)11-2-4-16-18(7-11)27-20(25-16)19-23-15-5-3-13(21)8-17(15)24-19/h2-10H,1H3,(H,23,24)
InChIKeyDMPXWEGEZRFAQS-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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole (CID 122447488) is 2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole is COc1cncc(-c2ccc3nc(-c4nc5ccc(F)cc5[nH]4)oc3c2)c1.
What is the InChIKey of 2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
The InChIKey is DMPXWEGEZRFAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O2/c1-26-14-6-12(9-22-10-14)11-2-4-16-18(7-11)27-20(25-16)19-23-15-5-3-13(21)8-17(15)24-19/h2-10H,1H3,(H,23,24).
What are the key properties of 2-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole?
2-(6-fluoro-1H-benzimidazol-2-yl)-6-(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-(6-fluoro-1H-benzimidazol-2-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 122447488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).