2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide

C20H20N4O3 — CID 126825605

IUPAC2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
SMILESCC(=O)N1CC(OCC(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)C1
InChIInChI=1S/C20H20N4O3/c1-13(25)24-10-16(11-24)27-12-19(26)21-15-7-8-17-18(9-15)23-20(22-17)14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyINJJSYYOEXIMMQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.42
Rot. Bonds5

About 2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide

2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 126825605) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
PubChem CID126825605
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
SMILESCC(=O)N1CC(OCC(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)C1
InChIInChI=1S/C20H20N4O3/c1-13(25)24-10-16(11-24)27-12-19(26)21-15-7-8-17-18(9-15)23-20(22-17)14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyINJJSYYOEXIMMQ-UHFFFAOYSA-N
XLogP2.42
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23802651
2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 163397662
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 110796357
1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
CID 110776332
2-methoxy-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
CID 56762292
[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23859790
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]acetamide
CID 56673048

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide (CID 126825605) is 2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide is CC(=O)N1CC(OCC(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)C1.
What is the InChIKey of 2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is INJJSYYOEXIMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13(25)24-10-16(11-24)27-12-19(26)21-15-7-8-17-18(9-15)23-20(22-17)14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 126825605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).