1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one

C15H18BrN3O — CID 59175753

IUPAC1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one
SMILESO=c1n(CC2CCNCC2)ccn1-c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O/c16-13-1-3-14(4-2-13)19-10-9-18(15(19)20)11-12-5-7-17-8-6-12/h1-4,9-10,12,17H,5-8,11H2
InChIKeyGMQGCFSTYSOOEP-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.40
Rot. Bonds3

About 1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one

1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one (PubChem CID 59175753) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one
PubChem CID59175753
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one
SMILESO=c1n(CC2CCNCC2)ccn1-c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O/c16-13-1-3-14(4-2-13)19-10-9-18(15(19)20)11-12-5-7-17-8-6-12/h1-4,9-10,12,17H,5-8,11H2
InChIKeyGMQGCFSTYSOOEP-UHFFFAOYSA-N
XLogP2.40
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one (CID 59175753) is 1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one is O=c1n(CC2CCNCC2)ccn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one?
The InChIKey is GMQGCFSTYSOOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-13-1-3-14(4-2-13)19-10-9-18(15(19)20)11-12-5-7-17-8-6-12/h1-4,9-10,12,17H,5-8,11H2.
What are the key properties of 1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one?
1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one has a molecular weight of 336.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one is sourced from PubChem (CID 59175753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).