N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide

C16H14F2N4O — CID 58459385

IUPACN-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2c(F)cccc2n1-c1cncc(F)c1
InChIInChI=1S/C16H14F2N4O/c1-9(20-10(2)23)16-21-15-13(18)4-3-5-14(15)22(16)12-6-11(17)7-19-8-12/h3-9H,1-2H3,(H,20,23)
InChIKeyFJKVSEFRXDRUCM-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.90
Rot. Bonds3

About N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide

N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 58459385) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID58459385
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2c(F)cccc2n1-c1cncc(F)c1
InChIInChI=1S/C16H14F2N4O/c1-9(20-10(2)23)16-21-15-13(18)4-3-5-14(15)22(16)12-6-11(17)7-19-8-12/h3-9H,1-2H3,(H,20,23)
InChIKeyFJKVSEFRXDRUCM-UHFFFAOYSA-N
XLogP2.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide (CID 58459385) is N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide is CC(=O)NC(C)c1nc2c(F)cccc2n1-c1cncc(F)c1.
What is the InChIKey of N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is FJKVSEFRXDRUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-9(20-10(2)23)16-21-15-13(18)4-3-5-14(15)22(16)12-6-11(17)7-19-8-12/h3-9H,1-2H3,(H,20,23).
What are the key properties of N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide?
N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 316.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 58459385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).