1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one

C15H20BrN3O — CID 116979323

IUPAC1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one
SMILESNC1CCC(N2CC(c3ccccc3Br)NC2=O)CC1
InChIInChI=1S/C15H20BrN3O/c16-13-4-2-1-3-12(13)14-9-19(15(20)18-14)11-7-5-10(17)6-8-11/h1-4,10-11,14H,5-9,17H2,(H,18,20)
InChIKeyOBBQHTPKRWKDPZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.79
Rot. Bonds2

About 1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one

1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one (PubChem CID 116979323) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one
PubChem CID116979323
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one
SMILESNC1CCC(N2CC(c3ccccc3Br)NC2=O)CC1
InChIInChI=1S/C15H20BrN3O/c16-13-4-2-1-3-12(13)14-9-19(15(20)18-14)11-7-5-10(17)6-8-11/h1-4,10-11,14H,5-9,17H2,(H,18,20)
InChIKeyOBBQHTPKRWKDPZ-UHFFFAOYSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one?
The IUPAC name of 1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one (CID 116979323) is 1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one is NC1CCC(N2CC(c3ccccc3Br)NC2=O)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one?
The InChIKey is OBBQHTPKRWKDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-13-4-2-1-3-12(13)14-9-19(15(20)18-14)11-7-5-10(17)6-8-11/h1-4,10-11,14H,5-9,17H2,(H,18,20).
What are the key properties of 1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one?
1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one has a molecular weight of 338.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-4-(2-bromophenyl)imidazolidin-2-one is sourced from PubChem (CID 116979323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).