4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

C12H13ClN6O2 — CID 75496230

IUPAC4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C12H13ClN6O2/c13-8-5-14-11(15-6-8)19-3-1-18(2-4-19)10(20)9-7-16-12(21)17-9/h5-7H,1-4H2,(H2,16,17,21)
InChIKeyFDOKUKJODQFWNR-UHFFFAOYSA-N
MW308.73 g/mol
LogP0.11
Rot. Bonds2

About 4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 75496230) has the molecular formula C12H13ClN6O2 and a molecular weight of 308.73 g/mol. Its IUPAC name is 4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID75496230
Molecular FormulaC12H13ClN6O2
Molecular Weight308.73 g/mol
Exact Mass308.08
IUPAC Name4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C12H13ClN6O2/c13-8-5-14-11(15-6-8)19-3-1-18(2-4-19)10(20)9-7-16-12(21)17-9/h5-7H,1-4H2,(H2,16,17,21)
InChIKeyFDOKUKJODQFWNR-UHFFFAOYSA-N
XLogP0.11
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 75496230) is 4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is FDOKUKJODQFWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6O2/c13-8-5-14-11(15-6-8)19-3-1-18(2-4-19)10(20)9-7-16-12(21)17-9/h5-7H,1-4H2,(H2,16,17,21).
What are the key properties of 4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 308.73 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 75496230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).