2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide

C20H21N3O3 — CID 168554617

IUPAC2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1-c1nc2ccccc2[nH]1)NCC1CCCO1
InChIInChI=1S/C20H21N3O3/c24-19(21-12-14-6-5-11-25-14)13-26-18-10-4-1-7-15(18)20-22-16-8-2-3-9-17(16)23-20/h1-4,7-10,14H,5-6,11-13H2,(H,21,24)(H,22,23)
InChIKeyVVKLZEIYTNLTNA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.90
Rot. Bonds6

About 2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide

2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 168554617) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID168554617
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1-c1nc2ccccc2[nH]1)NCC1CCCO1
InChIInChI=1S/C20H21N3O3/c24-19(21-12-14-6-5-11-25-14)13-26-18-10-4-1-7-15(18)20-22-16-8-2-3-9-17(16)23-20/h1-4,7-10,14H,5-6,11-13H2,(H,21,24)(H,22,23)
InChIKeyVVKLZEIYTNLTNA-UHFFFAOYSA-N
XLogP2.90
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 50746083
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
2-[2-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 163308884
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 82810102
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2372728
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 43985196
(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 94585398
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23767440

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 168554617) is 2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1ccccc1-c1nc2ccccc2[nH]1)NCC1CCCO1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VVKLZEIYTNLTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19(21-12-14-6-5-11-25-14)13-26-18-10-4-1-7-15(18)20-22-16-8-2-3-9-17(16)23-20/h1-4,7-10,14H,5-6,11-13H2,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 168554617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).