6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine

C18H13FN4O — CID 70687214

IUPAC6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(-c3cncc(Oc4ccc(F)cc4)c3)cc2[nH]1
InChIInChI=1S/C18H13FN4O/c19-13-2-4-14(5-3-13)24-15-7-12(9-21-10-15)11-1-6-16-17(8-11)23-18(20)22-16/h1-10H,(H3,20,22,23)
InChIKeyDXOOVGNYSYVTNM-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.14
Rot. Bonds3

About 6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine

6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 70687214) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID70687214
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(-c3cncc(Oc4ccc(F)cc4)c3)cc2[nH]1
InChIInChI=1S/C18H13FN4O/c19-13-2-4-14(5-3-13)24-15-7-12(9-21-10-15)11-1-6-16-17(8-11)23-18(20)22-16/h1-10H,(H3,20,22,23)
InChIKeyDXOOVGNYSYVTNM-UHFFFAOYSA-N
XLogP4.14
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine (CID 70687214) is 6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine is Nc1nc2ccc(-c3cncc(Oc4ccc(F)cc4)c3)cc2[nH]1.
What is the InChIKey of 6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is DXOOVGNYSYVTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-13-2-4-14(5-3-13)24-15-7-12(9-21-10-15)11-1-6-16-17(8-11)23-18(20)22-16/h1-10H,(H3,20,22,23).
What are the key properties of 6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine?
6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 320.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 70687214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).