1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one

C16H23N3O — CID 117436494

IUPAC1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccccc2C2(N)CCCCC2)C1=O
InChIInChI=1S/C16H23N3O/c1-18-11-12-19(15(18)20)14-8-4-3-7-13(14)16(17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12,17H2,1H3
InChIKeyVZYCBBVREMLDAP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.68
Rot. Bonds2

About 1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one

1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one (PubChem CID 117436494) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one
PubChem CID117436494
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccccc2C2(N)CCCCC2)C1=O
InChIInChI=1S/C16H23N3O/c1-18-11-12-19(15(18)20)14-8-4-3-7-13(14)16(17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12,17H2,1H3
InChIKeyVZYCBBVREMLDAP-UHFFFAOYSA-N
XLogP2.68
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-aminocyclopentyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117464112
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-3-methylimidazolidin-2-one
CID 117402473
1-[2-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,3-dione
CID 117485626
1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one
CID 83822158
1-[2-(3-aminopropanoyl)phenyl]-3-methylimidazolidin-2-one
CID 117370660
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione
CID 117463810
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine
CID 82026995
4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117410285
1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one
CID 117026499
1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentan-1-amine
CID 117331093
1-(2-methyl-3-pyridinyl)cyclohexan-1-amine
CID 96855234
1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
CID 117434122

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one (CID 117436494) is 1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccccc2C2(N)CCCCC2)C1=O.
What is the InChIKey of 1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one?
The InChIKey is VZYCBBVREMLDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-11-12-19(15(18)20)14-8-4-3-7-13(14)16(17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12,17H2,1H3.
What are the key properties of 1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one?
1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminocyclohexyl)phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 117436494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).