1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one

C16H25N3O — CID 43724866

IUPAC1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one
SMILESCCCC(CCC)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C16H25N3O/c1-3-5-13(6-4-2)18-14-7-9-15(10-8-14)19-12-11-17-16(19)20/h7-10,13,18H,3-6,11-12H2,1-2H3,(H,17,20)
InChIKeyBIQIYRZDMOOKGZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.60
Rot. Bonds7

About 1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one

1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one (PubChem CID 43724866) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one
PubChem CID43724866
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one
SMILESCCCC(CCC)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C16H25N3O/c1-3-5-13(6-4-2)18-14-7-9-15(10-8-14)19-12-11-17-16(19)20/h7-10,13,18H,3-6,11-12H2,1-2H3,(H,17,20)
InChIKeyBIQIYRZDMOOKGZ-UHFFFAOYSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one (CID 43724866) is 1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one is CCCC(CCC)Nc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one?
The InChIKey is BIQIYRZDMOOKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-5-13(6-4-2)18-14-7-9-15(10-8-14)19-12-11-17-16(19)20/h7-10,13,18H,3-6,11-12H2,1-2H3,(H,17,20).
What are the key properties of 1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one?
1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one has a molecular weight of 275.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one is sourced from PubChem (CID 43724866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).