3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one

C20H20N4O3 — CID 138995663

IUPAC3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESO=C1CC(c2ccccc2)N(C(=O)Cn2c(=O)[nH]c3ccccc32)CCN1
InChIInChI=1S/C20H20N4O3/c25-18-12-17(14-6-2-1-3-7-14)23(11-10-21-18)19(26)13-24-16-9-5-4-8-15(16)22-20(24)27/h1-9,17H,10-13H2,(H,21,25)(H,22,27)
InChIKeyZXORPJFDBQAKIX-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.42
Rot. Bonds3

About 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one

3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one (PubChem CID 138995663) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one
PubChem CID138995663
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESO=C1CC(c2ccccc2)N(C(=O)Cn2c(=O)[nH]c3ccccc32)CCN1
InChIInChI=1S/C20H20N4O3/c25-18-12-17(14-6-2-1-3-7-14)23(11-10-21-18)19(26)13-24-16-9-5-4-8-15(16)22-20(24)27/h1-9,17H,10-13H2,(H,21,25)(H,22,27)
InChIKeyZXORPJFDBQAKIX-UHFFFAOYSA-N
XLogP1.42
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

7-phenyl-1-(3,3,3-trifluoropropanoyl)-1,4-diazepan-5-one
CID 56819649
1-[2-(4-aminophenyl)acetyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 119736138
(3S)-4-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125119311
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119469480
(7S)-1-[3-[(2S)-oxolan-2-yl]propanoyl]-7-phenyl-1,4-diazepan-5-one
CID 95580426
5-methyl-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118829
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198
3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119413160
4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251084
(7S)-7-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]acetyl]-1,4-diazepan-5-one
CID 94130900
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119651884

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one (CID 138995663) is 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one is O=C1CC(c2ccccc2)N(C(=O)Cn2c(=O)[nH]c3ccccc32)CCN1.
What is the InChIKey of 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one?
The InChIKey is ZXORPJFDBQAKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-18-12-17(14-6-2-1-3-7-14)23(11-10-21-18)19(26)13-24-16-9-5-4-8-15(16)22-20(24)27/h1-9,17H,10-13H2,(H,21,25)(H,22,27).
What are the key properties of 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one?
3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 138995663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).