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

C18H18FN3O2 — CID 71941395

IUPACN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(Cn1cnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c1-24-11-18(23)21-16(13-6-8-14(19)9-7-13)10-22-12-20-15-4-2-3-5-17(15)22/h2-9,12,16H,10-11H2,1H3,(H,21,23)
InChIKeyBMVXXYSSVHPXRW-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.68
Rot. Bonds6

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

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide (PubChem CID 71941395) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
PubChem CID71941395
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(Cn1cnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c1-24-11-18(23)21-16(13-6-8-14(19)9-7-13)10-22-12-20-15-4-2-3-5-17(15)22/h2-9,12,16H,10-11H2,1H3,(H,21,23)
InChIKeyBMVXXYSSVHPXRW-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide (CID 71941395) is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide is COCC(=O)NC(Cn1cnc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide?
The InChIKey is BMVXXYSSVHPXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-24-11-18(23)21-16(13-6-8-14(19)9-7-13)10-22-12-20-15-4-2-3-5-17(15)22/h2-9,12,16H,10-11H2,1H3,(H,21,23).
What are the key properties of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide?
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide has a molecular weight of 327.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 71941395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).