2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide

C17H16FN3O2 — CID 110785663

IUPAC2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)COc3cccc(F)c3)cc2[nH]1
InChIInChI=1S/C17H16FN3O2/c1-11-20-15-6-5-12(7-16(15)21-11)9-19-17(22)10-23-14-4-2-3-13(18)8-14/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyOMZCEQXNKHTLND-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.71
Rot. Bonds5

About 2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide

2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide (PubChem CID 110785663) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
PubChem CID110785663
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)COc3cccc(F)c3)cc2[nH]1
InChIInChI=1S/C17H16FN3O2/c1-11-20-15-6-5-12(7-16(15)21-11)9-19-17(22)10-23-14-4-2-3-13(18)8-14/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyOMZCEQXNKHTLND-UHFFFAOYSA-N
XLogP2.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 60513687
N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110784568
2-(3-fluorophenoxy)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 110730575
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136767922
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 90652899
N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide
CID 18110682
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide (CID 110785663) is 2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide is Cc1nc2ccc(CNC(=O)COc3cccc(F)c3)cc2[nH]1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The InChIKey is OMZCEQXNKHTLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11-20-15-6-5-12(7-16(15)21-11)9-19-17(22)10-23-14-4-2-3-13(18)8-14/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 110785663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).