1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one

C15H14FN3O2 — CID 134716801

IUPAC1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H14FN3O2/c1-9-6-11(20)8-15(21)19(9)5-4-14-17-12-3-2-10(16)7-13(12)18-14/h2-3,6-8,20H,4-5H2,1H3,(H,17,18)
InChIKeyFNWFCTCKDQXRQY-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.12
Rot. Bonds3

About 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one

1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 134716801) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID134716801
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H14FN3O2/c1-9-6-11(20)8-15(21)19(9)5-4-14-17-12-3-2-10(16)7-13(12)18-14/h2-3,6-8,20H,4-5H2,1H3,(H,17,18)
InChIKeyFNWFCTCKDQXRQY-UHFFFAOYSA-N
XLogP2.12
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanamide
CID 127254727
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 131898907
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol
CID 81431671
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride
CID 45357279
1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56863769
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide
CID 90648663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one (CID 134716801) is 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1CCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is FNWFCTCKDQXRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-6-11(20)8-15(21)19(9)5-4-14-17-12-3-2-10(16)7-13(12)18-14/h2-3,6-8,20H,4-5H2,1H3,(H,17,18).
What are the key properties of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one?
1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 134716801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).