N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide

C16H14FN3O2 — CID 110785509

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H14FN3O2/c17-12-3-1-2-4-15(12)22-9-16(21)18-8-11-5-6-13-14(7-11)20-10-19-13/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyVJDSNQJSZWKKJY-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.40
Rot. Bonds5

About N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide

N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide (PubChem CID 110785509) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
PubChem CID110785509
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H14FN3O2/c17-12-3-1-2-4-15(12)22-9-16(21)18-8-11-5-6-13-14(7-11)20-10-19-13/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyVJDSNQJSZWKKJY-UHFFFAOYSA-N
XLogP2.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 49047342
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541140
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide (CID 110785509) is N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide?
The InChIKey is VJDSNQJSZWKKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-12-3-1-2-4-15(12)22-9-16(21)18-8-11-5-6-13-14(7-11)20-10-19-13/h1-7,10H,8-9H2,(H,18,21)(H,19,20).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide?
N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide has a molecular weight of 299.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 110785509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).