N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide

C23H20FN3O2 — CID 49047342

IUPACN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C23H20FN3O2/c24-19-5-1-4-8-22(19)29-15-23(28)25-13-17-9-11-18(12-10-17)14-27-16-26-20-6-2-3-7-21(20)27/h1-12,16H,13-15H2,(H,25,28)
InChIKeyWETSAUSNGVZTQA-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.92
Rot. Bonds7

About N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 49047342) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
PubChem CID49047342
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C23H20FN3O2/c24-19-5-1-4-8-22(19)29-15-23(28)25-13-17-9-11-18(12-10-17)14-27-16-26-20-6-2-3-7-21(20)27/h1-12,16H,13-15H2,(H,25,28)
InChIKeyWETSAUSNGVZTQA-UHFFFAOYSA-N
XLogP3.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60604713
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 8947910
2-(2-fluorophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979329
methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate
CID 7815449
N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
CID 110785509
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide
CID 17027422
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide (CID 49047342) is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NCc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is WETSAUSNGVZTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-19-5-1-4-8-22(19)29-15-23(28)25-13-17-9-11-18(12-10-17)14-27-16-26-20-6-2-3-7-21(20)27/h1-12,16H,13-15H2,(H,25,28).
What are the key properties of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide?
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 389.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 49047342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).