1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one

C20H24N4O — CID 154755779

IUPAC1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NC2CCCC(c3cccnc3)C2)cc1
InChIInChI=1S/C20H24N4O/c25-20-22-11-12-24(20)19-8-6-17(7-9-19)23-18-5-1-3-15(13-18)16-4-2-10-21-14-16/h2,4,6-10,14-15,18,23H,1,3,5,11-13H2,(H,22,25)
InChIKeyLFONDWBTAFFASP-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.75
Rot. Bonds4

About 1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one

1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one (PubChem CID 154755779) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one
PubChem CID154755779
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NC2CCCC(c3cccnc3)C2)cc1
InChIInChI=1S/C20H24N4O/c25-20-22-11-12-24(20)19-8-6-17(7-9-19)23-18-5-1-3-15(13-18)16-4-2-10-21-14-16/h2,4,6-10,14-15,18,23H,1,3,5,11-13H2,(H,22,25)
InChIKeyLFONDWBTAFFASP-UHFFFAOYSA-N
XLogP3.75
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one (CID 154755779) is 1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(NC2CCCC(c3cccnc3)C2)cc1.
What is the InChIKey of 1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one?
The InChIKey is LFONDWBTAFFASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20-22-11-12-24(20)19-8-6-17(7-9-19)23-18-5-1-3-15(13-18)16-4-2-10-21-14-16/h2,4,6-10,14-15,18,23H,1,3,5,11-13H2,(H,22,25).
What are the key properties of 1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one?
1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one is sourced from PubChem (CID 154755779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).