1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one

C16H23N3O — CID 43696521

IUPAC1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one
SMILESCC1CCCC(Nc2cccc(N3CCNC3=O)c2)C1
InChIInChI=1S/C16H23N3O/c1-12-4-2-5-13(10-12)18-14-6-3-7-15(11-14)19-9-8-17-16(19)20/h3,6-7,11-13,18H,2,4-5,8-10H2,1H3,(H,17,20)
InChIKeyYKOSIIPMJBWQCK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.21
Rot. Bonds3

About 1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one

1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one (PubChem CID 43696521) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one
PubChem CID43696521
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one
SMILESCC1CCCC(Nc2cccc(N3CCNC3=O)c2)C1
InChIInChI=1S/C16H23N3O/c1-12-4-2-5-13(10-12)18-14-6-3-7-15(11-14)19-9-8-17-16(19)20/h3,6-7,11-13,18H,2,4-5,8-10H2,1H3,(H,17,20)
InChIKeyYKOSIIPMJBWQCK-UHFFFAOYSA-N
XLogP3.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(4-methylcycloheptyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 65080065
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-[3-(dicyclopropylmethylamino)phenyl]imidazolidin-2-one
CID 43696697
1-[3-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]imidazolidin-2-one
CID 43783655
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline
CID 104860198
methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate
CID 54864154
4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874022
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55809666
1-[4-[(3-pyridin-3-ylcyclohexyl)amino]phenyl]imidazolidin-2-one
CID 154755779

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one (CID 43696521) is 1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one is CC1CCCC(Nc2cccc(N3CCNC3=O)c2)C1.
What is the InChIKey of 1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one?
The InChIKey is YKOSIIPMJBWQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-4-2-5-13(10-12)18-14-6-3-7-15(11-14)19-9-8-17-16(19)20/h3,6-7,11-13,18H,2,4-5,8-10H2,1H3,(H,17,20).
What are the key properties of 1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one?
1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one is sourced from PubChem (CID 43696521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).