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

C15H20BrN3O — CID 116979173

IUPAC4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
SMILESO=C1NC(c2ccccc2Br)CN1CC1CCCNC1
InChIInChI=1S/C15H20BrN3O/c16-13-6-2-1-5-12(13)14-10-19(15(20)18-14)9-11-4-3-7-17-8-11/h1-2,5-6,11,14,17H,3-4,7-10H2,(H,18,20)
InChIKeyXPRNJBFMINCAHF-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.52
Rot. Bonds3

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

4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one (PubChem CID 116979173) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
PubChem CID116979173
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one
SMILESO=C1NC(c2ccccc2Br)CN1CC1CCCNC1
InChIInChI=1S/C15H20BrN3O/c16-13-6-2-1-5-12(13)14-10-19(15(20)18-14)9-11-4-3-7-17-8-11/h1-2,5-6,11,14,17H,3-4,7-10H2,(H,18,20)
InChIKeyXPRNJBFMINCAHF-UHFFFAOYSA-N
XLogP2.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
CID 116979116
1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979163
4-(2-bromophenyl)-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116979888
3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979536
3-[[(3R)-piperidin-3-yl]methyl]-1,4-dihydroquinazolin-2-one
CID 97169092
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116981847
1-cyclopropyl-4-(piperidin-3-ylmethyl)-2,3-dihydroquinoxaline
CID 120849285
2-(piperidin-3-ylmethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525998
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one
CID 116979323
1-(2-piperidin-3-ylethyl)-4-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116980633

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one?
The IUPAC name of 4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one (CID 116979173) is 4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one is O=C1NC(c2ccccc2Br)CN1CC1CCCNC1.
What is the InChIKey of 4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one?
The InChIKey is XPRNJBFMINCAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-13-6-2-1-5-12(13)14-10-19(15(20)18-14)9-11-4-3-7-17-8-11/h1-2,5-6,11,14,17H,3-4,7-10H2,(H,18,20).
What are the key properties of 4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one?
4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one has a molecular weight of 338.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-(piperidin-3-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 116979173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).