1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one

C12H16N6O — CID 56876502

IUPAC1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one
SMILESCc1[nH]cnc1-c1nccn1CCN1CCNC1=O
InChIInChI=1S/C12H16N6O/c1-9-10(16-8-15-9)11-13-2-4-17(11)6-7-18-5-3-14-12(18)19/h2,4,8H,3,5-7H2,1H3,(H,14,19)(H,15,16)
InChIKeyPQVSZXUZESNYAM-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.61
Rot. Bonds4

About 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one

1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one (PubChem CID 56876502) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one
PubChem CID56876502
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one
SMILESCc1[nH]cnc1-c1nccn1CCN1CCNC1=O
InChIInChI=1S/C12H16N6O/c1-9-10(16-8-15-9)11-13-2-4-17(11)6-7-18-5-3-14-12(18)19/h2,4,8H,3,5-7H2,1H3,(H,14,19)(H,15,16)
InChIKeyPQVSZXUZESNYAM-UHFFFAOYSA-N
XLogP0.61
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one (CID 56876502) is 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one is Cc1[nH]cnc1-c1nccn1CCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is PQVSZXUZESNYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-9-10(16-8-15-9)11-13-2-4-17(11)6-7-18-5-3-14-12(18)19/h2,4,8H,3,5-7H2,1H3,(H,14,19)(H,15,16).
What are the key properties of 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one?
1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 260.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 56876502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).