4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C16H18BrN3O3 — CID 90886974

IUPAC4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=C(Cc1[nH]c(=O)[nH]c1O)N1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H18BrN3O3/c17-12-3-1-10(2-4-12)11-5-7-20(8-6-11)14(21)9-13-15(22)19-16(23)18-13/h1-4,11,22H,5-9H2,(H2,18,19,23)
InChIKeySOJCUHIJZXCGOQ-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.12
Rot. Bonds3

About 4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 90886974) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is 4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID90886974
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC Name4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=C(Cc1[nH]c(=O)[nH]c1O)N1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H18BrN3O3/c17-12-3-1-10(2-4-12)11-5-7-20(8-6-11)14(21)9-13-15(22)19-16(23)18-13/h1-4,11,22H,5-9H2,(H2,18,19,23)
InChIKeySOJCUHIJZXCGOQ-UHFFFAOYSA-N
XLogP2.12
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 90886974) is 4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=C(Cc1[nH]c(=O)[nH]c1O)N1CCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is SOJCUHIJZXCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c17-12-3-1-10(2-4-12)11-5-7-20(8-6-11)14(21)9-13-15(22)19-16(23)18-13/h1-4,11,22H,5-9H2,(H2,18,19,23).
What are the key properties of 4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 380.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-bromophenyl)piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 90886974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).