N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

C13H21N5O2 — CID 121498302

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCc1ncn(CCNC(=O)CN2CCN(C)C2=O)c1C
InChIInChI=1S/C13H21N5O2/c1-10-11(2)18(9-15-10)5-4-14-12(19)8-17-7-6-16(3)13(17)20/h9H,4-8H2,1-3H3,(H,14,19)
InChIKeyDORBLQMBWSWEMP-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.02
Rot. Bonds5

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (PubChem CID 121498302) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
PubChem CID121498302
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCc1ncn(CCNC(=O)CN2CCN(C)C2=O)c1C
InChIInChI=1S/C13H21N5O2/c1-10-11(2)18(9-15-10)5-4-14-12(19)8-17-7-6-16(3)13(17)20/h9H,4-8H2,1-3H3,(H,14,19)
InChIKeyDORBLQMBWSWEMP-UHFFFAOYSA-N
XLogP-0.02
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (CID 121498302) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is Cc1ncn(CCNC(=O)CN2CCN(C)C2=O)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The InChIKey is DORBLQMBWSWEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10-11(2)18(9-15-10)5-4-14-12(19)8-17-7-6-16(3)13(17)20/h9H,4-8H2,1-3H3,(H,14,19).
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 121498302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).