1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one

C18H20N6O2 — CID 72844062

IUPAC1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H20N6O2/c25-16(14-3-1-4-15(13-14)24-8-7-21-18(24)26)22-9-11-23(12-10-22)17-19-5-2-6-20-17/h1-6,13H,7-12H2,(H,21,26)
InChIKeyMVHDYWJYGNEDTD-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.97
Rot. Bonds3

About 1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one

1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one (PubChem CID 72844062) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
PubChem CID72844062
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H20N6O2/c25-16(14-3-1-4-15(13-14)24-8-7-21-18(24)26)22-9-11-23(12-10-22)17-19-5-2-6-20-17/h1-6,13H,7-12H2,(H,21,26)
InChIKeyMVHDYWJYGNEDTD-UHFFFAOYSA-N
XLogP0.97
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55700209
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95131956
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 47877940
1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55830150
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959
(3-methylsulfinylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 146127206
N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55930639

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one (CID 72844062) is 1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one is O=C(c1cccc(N2CCNC2=O)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one?
The InChIKey is MVHDYWJYGNEDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-16(14-3-1-4-15(13-14)24-8-7-21-18(24)26)22-9-11-23(12-10-22)17-19-5-2-6-20-17/h1-6,13H,7-12H2,(H,21,26).
What are the key properties of 1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one?
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one has a molecular weight of 352.40 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 72844062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).