4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

C10H16N4O3 — CID 43416396

IUPAC4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCN(CCO)CC1
InChIInChI=1S/C10H16N4O3/c15-6-5-13-1-3-14(4-2-13)9(16)8-7-11-10(17)12-8/h7,15H,1-6H2,(H2,11,12,17)
InChIKeyOEKVCKWHDHUESE-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.55
Rot. Bonds3

About 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 43416396) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID43416396
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCN(CCO)CC1
InChIInChI=1S/C10H16N4O3/c15-6-5-13-1-3-14(4-2-13)9(16)8-7-11-10(17)12-8/h7,15H,1-6H2,(H2,11,12,17)
InChIKeyOEKVCKWHDHUESE-UHFFFAOYSA-N
XLogP-1.55
TPSA92.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 43416396) is 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCN(CCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is OEKVCKWHDHUESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-6-5-13-1-3-14(4-2-13)9(16)8-7-11-10(17)12-8/h7,15H,1-6H2,(H2,11,12,17).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 240.26 g/mol, XLogP of -1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 43416396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).