4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one

C19H24N4O2 — CID 56864113

IUPAC4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one
SMILESCCC1CN(C(=O)Cn2ccnc2)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H24N4O2/c1-2-17-13-22(19(25)14-21-11-9-20-15-21)10-8-18(24)23(17)12-16-6-4-3-5-7-16/h3-7,9,11,15,17H,2,8,10,12-14H2,1H3
InChIKeyQVEMSYNOXIPTOW-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.92
Rot. Bonds5

About 4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one

4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one (PubChem CID 56864113) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one
PubChem CID56864113
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one
SMILESCCC1CN(C(=O)Cn2ccnc2)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H24N4O2/c1-2-17-13-22(19(25)14-21-11-9-20-15-21)10-8-18(24)23(17)12-16-6-4-3-5-7-16/h3-7,9,11,15,17H,2,8,10,12-14H2,1H3
InChIKeyQVEMSYNOXIPTOW-UHFFFAOYSA-N
XLogP1.92
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-3-ethyl-1-[2-(tetrazol-1-yl)acetyl]-1,4-diazepan-5-one
CID 56866890
(3S)-4-benzyl-3-ethyl-1-[3-(1,2,4-triazol-4-yl)propanoyl]-1,4-diazepan-5-one
CID 95543224
4-benzyl-3-ethyl-1-[2-(methylamino)acetyl]-1,4-diazepan-5-one
CID 56874749
(3R)-4-benzyl-3-ethyl-1-(2-methoxyacetyl)-1,4-diazepan-5-one
CID 95554793
4-benzyl-1-[2-(dimethylamino)acetyl]-3-ethyl-1,4-diazepan-5-one
CID 56871600
4-benzyl-3-ethyl-1-(2-pyridin-3-yloxyacetyl)-1,4-diazepan-5-one
CID 56874579
4-benzyl-3-ethyl-1-[3-(tetrazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 56865006
4-benzyl-3-ethyl-1-(1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 56863506
(3R)-4-benzyl-3-ethyl-1-(1-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 95502161
(3R)-4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide
CID 95557958
4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide
CID 56878549
(3S)-4-benzyl-3-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one
CID 95556771

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one?
The IUPAC name of 4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one (CID 56864113) is 4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one is CCC1CN(C(=O)Cn2ccnc2)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one?
The InChIKey is QVEMSYNOXIPTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-17-13-22(19(25)14-21-11-9-20-15-21)10-8-18(24)23(17)12-16-6-4-3-5-7-16/h3-7,9,11,15,17H,2,8,10,12-14H2,1H3.
What are the key properties of 4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one?
4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one has a molecular weight of 340.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56864113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).