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

C13H17N5O — CID 56871323

IUPAC1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1[nH]cnc1-c1nccn1CCN1CCCC1=O
InChIInChI=1S/C13H17N5O/c1-10-12(16-9-15-10)13-14-4-6-18(13)8-7-17-5-2-3-11(17)19/h4,6,9H,2-3,5,7-8H2,1H3,(H,15,16)
InChIKeyKFGPWZKRKPEANJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.20
Rot. Bonds4

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

1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 56871323) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one
PubChem CID56871323
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1[nH]cnc1-c1nccn1CCN1CCCC1=O
InChIInChI=1S/C13H17N5O/c1-10-12(16-9-15-10)13-14-4-6-18(13)8-7-17-5-2-3-11(17)19/h4,6,9H,2-3,5,7-8H2,1H3,(H,15,16)
InChIKeyKFGPWZKRKPEANJ-UHFFFAOYSA-N
XLogP1.20
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
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]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one (CID 56871323) is 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one is Cc1[nH]cnc1-c1nccn1CCN1CCCC1=O.
What is the InChIKey of 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is KFGPWZKRKPEANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-12(16-9-15-10)13-14-4-6-18(13)8-7-17-5-2-3-11(17)19/h4,6,9H,2-3,5,7-8H2,1H3,(H,15,16).
What are the key properties of 1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 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]pyrrolidin-2-one is sourced from PubChem (CID 56871323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).