ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one

C15H26N4O — CID 143293690

IUPACethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one
SMILESC=C/N=C/c1c(C)[nH]c(=O)n1C1CCN(C)CC1.CC
InChIInChI=1S/C13H20N4O.C2H6/c1-4-14-9-12-10(2)15-13(18)17(12)11-5-7-16(3)8-6-11;1-2/h4,9,11H,1,5-8H2,2-3H3,(H,15,18);1-2H3/b14-9+;
InChIKeyHXOUBSJOOFNMOV-KYIGKLDSSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds3

About ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one

ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one (PubChem CID 143293690) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Nameethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one
PubChem CID143293690
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Nameethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one
SMILESC=C/N=C/c1c(C)[nH]c(=O)n1C1CCN(C)CC1.CC
InChIInChI=1S/C13H20N4O.C2H6/c1-4-14-9-12-10(2)15-13(18)17(12)11-5-7-16(3)8-6-11;1-2/h4,9,11H,1,5-8H2,2-3H3,(H,15,18);1-2H3/b14-9+;
InChIKeyHXOUBSJOOFNMOV-KYIGKLDSSA-N
XLogP2.34
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one?
The IUPAC name of ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one (CID 143293690) is ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one.
What is the SMILES notation for ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one?
The canonical SMILES for ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one is C=C/N=C/c1c(C)[nH]c(=O)n1C1CCN(C)CC1.CC.
What is the InChIKey of ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one?
The InChIKey is HXOUBSJOOFNMOV-KYIGKLDSSA-N. The full InChI is InChI=1S/C13H20N4O.C2H6/c1-4-14-9-12-10(2)15-13(18)17(12)11-5-7-16(3)8-6-11;1-2/h4,9,11H,1,5-8H2,2-3H3,(H,15,18);1-2H3/b14-9+;.
What are the key properties of ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one?
ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(ethenyliminomethyl)-5-methyl-3-(1-methylpiperidin-4-yl)-1H-imidazol-2-one is sourced from PubChem (CID 143293690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).