7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione

C15H24N4O2 — CID 64882623

IUPAC7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CC(C)N(CCn2ccnc2C)C1=O
InChIInChI=1S/C15H24N4O2/c1-4-5-13-15(21)19(11(2)10-14(20)17-13)9-8-18-7-6-16-12(18)3/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,20)
InChIKeyRXRKQFQWJSWWQI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.10
Rot. Bonds5

About 7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione

7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione (PubChem CID 64882623) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
PubChem CID64882623
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
SMILESCCCC1NC(=O)CC(C)N(CCn2ccnc2C)C1=O
InChIInChI=1S/C15H24N4O2/c1-4-5-13-15(21)19(11(2)10-14(20)17-13)9-8-18-7-6-16-12(18)3/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,20)
InChIKeyRXRKQFQWJSWWQI-UHFFFAOYSA-N
XLogP1.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-1,3-dipropyl-1,4-diazepane-2,5-dione
CID 64882235
1-hexyl-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64883007
1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64882619
3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione
CID 82899910
1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 103414916
7-methyl-1-[(2-methylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64882430
3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one
CID 55216737
6-ethyl-3,6-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64875294
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one
CID 130549375
3,3-diethyl-6-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64884819
5-cyclopropyl-5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-2-propylpiperazine
CID 64876913
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione?
The IUPAC name of 7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione (CID 64882623) is 7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione is CCCC1NC(=O)CC(C)N(CCn2ccnc2C)C1=O.
What is the InChIKey of 7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione?
The InChIKey is RXRKQFQWJSWWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-5-13-15(21)19(11(2)10-14(20)17-13)9-8-18-7-6-16-12(18)3/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,20).
What are the key properties of 7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione?
7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).