N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

C18H18FN3O2 — CID 4883087

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(CO)nc2ccccc21)NCCc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c19-14-7-5-13(6-8-14)9-10-20-18(24)11-22-16-4-2-1-3-15(16)21-17(22)12-23/h1-8,23H,9-12H2,(H,20,24)
InChIKeyIMHGEBXUPGENAH-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.03
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 4883087) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
PubChem CID4883087
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(CO)nc2ccccc21)NCCc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c19-14-7-5-13(6-8-14)9-10-20-18(24)11-22-16-4-2-1-3-15(16)21-17(22)12-23/h1-8,23H,9-12H2,(H,20,24)
InChIKeyIMHGEBXUPGENAH-UHFFFAOYSA-N
XLogP2.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (CID 4883087) is N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(CO)nc2ccccc21)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is IMHGEBXUPGENAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-7-5-13(6-8-14)9-10-20-18(24)11-22-16-4-2-1-3-15(16)21-17(22)12-23/h1-8,23H,9-12H2,(H,20,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 327.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4883087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).