1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one

C18H15Cl2FN2O2 — CID 159577842

IUPAC1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one
SMILESO=C(CCOc1ccc(Cl)cc1Cl)CCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H15Cl2FN2O2/c19-11-1-5-17(14(20)9-11)25-8-7-13(24)3-6-18-22-15-4-2-12(21)10-16(15)23-18/h1-2,4-5,9-10H,3,6-8H2,(H,22,23)
InChIKeyOSOLAENCEAIXLE-UHFFFAOYSA-N
MW381.23 g/mol
LogP4.98
Rot. Bonds7

About 1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one

1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one (PubChem CID 159577842) has the molecular formula C18H15Cl2FN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one
PubChem CID159577842
Molecular FormulaC18H15Cl2FN2O2
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one
SMILESO=C(CCOc1ccc(Cl)cc1Cl)CCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H15Cl2FN2O2/c19-11-1-5-17(14(20)9-11)25-8-7-13(24)3-6-18-22-15-4-2-12(21)10-16(15)23-18/h1-2,4-5,9-10H,3,6-8H2,(H,22,23)
InChIKeyOSOLAENCEAIXLE-UHFFFAOYSA-N
XLogP4.98
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one?
The IUPAC name of 1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one (CID 159577842) is 1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one is O=C(CCOc1ccc(Cl)cc1Cl)CCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one?
The InChIKey is OSOLAENCEAIXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2/c19-11-1-5-17(14(20)9-11)25-8-7-13(24)3-6-18-22-15-4-2-12(21)10-16(15)23-18/h1-2,4-5,9-10H,3,6-8H2,(H,22,23).
What are the key properties of 1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one?
1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one has a molecular weight of 381.23 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one is sourced from PubChem (CID 159577842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).