2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide

C19H20N4O3 — CID 90648940

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
SMILESO=C(CN1CCOc2ccccc2C1)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H20N4O3/c24-18(12-23-7-8-26-17-4-2-1-3-14(17)11-23)20-10-13-5-6-15-16(9-13)22-19(25)21-15/h1-6,9H,7-8,10-12H2,(H,20,24)(H2,21,22,25)
InChIKeyGXKSMXIAMFKURZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.37
Rot. Bonds4

About 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide (PubChem CID 90648940) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
PubChem CID90648940
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
SMILESO=C(CN1CCOc2ccccc2C1)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H20N4O3/c24-18(12-23-7-8-26-17-4-2-1-3-14(17)11-23)20-10-13-5-6-15-16(9-13)22-19(25)21-15/h1-6,9H,7-8,10-12H2,(H,20,24)(H2,21,22,25)
InChIKeyGXKSMXIAMFKURZ-UHFFFAOYSA-N
XLogP1.37
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
2-[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91837409
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 131904014
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 78903213
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 131947613
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]sulfanylacetic acid
CID 120550099
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 135112335
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[3-(triazol-1-yl)propyl]acetamide
CID 135103472
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
2-(azocan-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)acetamide
CID 91829779

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide (CID 90648940) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide is O=C(CN1CCOc2ccccc2C1)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide?
The InChIKey is GXKSMXIAMFKURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(12-23-7-8-26-17-4-2-1-3-14(17)11-23)20-10-13-5-6-15-16(9-13)22-19(25)21-15/h1-6,9H,7-8,10-12H2,(H,20,24)(H2,21,22,25).
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 90648940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).