1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one

C10H12N4O — CID 15065575

IUPAC1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one
SMILESO=C1NCCN1CC#CCn1ccnc1
InChIInChI=1S/C10H12N4O/c15-10-12-4-8-14(10)6-2-1-5-13-7-3-11-9-13/h3,7,9H,4-6,8H2,(H,12,15)
InChIKeyKMYRTHOJNCIAHR-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.09
Rot. Bonds2

About 1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one

1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one (PubChem CID 15065575) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one
PubChem CID15065575
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one
SMILESO=C1NCCN1CC#CCn1ccnc1
InChIInChI=1S/C10H12N4O/c15-10-12-4-8-14(10)6-2-1-5-13-7-3-11-9-13/h3,7,9H,4-6,8H2,(H,12,15)
InChIKeyKMYRTHOJNCIAHR-UHFFFAOYSA-N
XLogP-0.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Imidazol-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 15065548
N-(4-imidazol-1-ylbut-2-ynyl)-N-methylacetamide
CID 15065557
1-(4-Imidazol-1-ylbut-2-ynyl)-1,3,3-trimethylurea
CID 15065573
1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]imidazolidin-2-one
CID 15065576
1-(4-Imidazol-1-ylbut-2-ynyl)-3-methylimidazolidin-2-one
CID 15065577
1,3-Dihydro-1-[4-(1H-imidazol-1-yl)-2-butynyl]-3-methyl-2H-imidazol-2-one
CID 15065579
1-(5-Imidazol-1-ylpent-3-yn-2-yl)-3-methylimidazolidin-2-one
CID 15065581
N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
1-(pyrrolidine-1-carbonyl)-1H-imidazole
CID 12185907
1,1'-Carbonylbis(2-methylimidazole)
CID 719806
N-methyl-1H-imidazole-1-carboxamide
CID 12420700
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one?
The IUPAC name of 1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one (CID 15065575) is 1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one is O=C1NCCN1CC#CCn1ccnc1.
What is the InChIKey of 1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one?
The InChIKey is KMYRTHOJNCIAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c15-10-12-4-8-14(10)6-2-1-5-13-7-3-11-9-13/h3,7,9H,4-6,8H2,(H,12,15).
What are the key properties of 1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one?
1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one has a molecular weight of 204.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylbut-2-ynyl)imidazolidin-2-one is sourced from PubChem (CID 15065575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).