1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one

C12H23N3O2 — CID 106133692

IUPAC1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1CCC(O)CC1
InChIInChI=1S/C12H23N3O2/c16-11-3-1-10(2-4-11)9-13-5-7-15-8-6-14-12(15)17/h10-11,13,16H,1-9H2,(H,14,17)
InChIKeySZFAOGBWTLTQGX-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.15
Rot. Bonds5

About 1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one

1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 106133692) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one
PubChem CID106133692
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1CCC(O)CC1
InChIInChI=1S/C12H23N3O2/c16-11-3-1-10(2-4-11)9-13-5-7-15-8-6-14-12(15)17/h10-11,13,16H,1-9H2,(H,14,17)
InChIKeySZFAOGBWTLTQGX-UHFFFAOYSA-N
XLogP0.15
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-Hydroxy-2-(trifluoromethyl)cyclohexyl]imidazolidin-2-one
CID 165952010
1-(2,4-Diethyl-3-hydroxyoctyl)imidazolidin-2-one
CID 22381346
1-(2-Ethyl-3-hydroxyhexyl)imidazolidin-2-one
CID 22381433
Pyrrolidine-1-carboxylic acid (4-hydroxy-cyclohexylmethyl)-amide
CID 66837795
1-[(4-Methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol
CID 143806372
1-(2-Ethyl-2,5-dihydroxypentyl)imidazolidin-2-one
CID 175032119
1-[2-[3-(2-Hydroxyethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 62357312
1-[2-[[1-(Hydroxymethyl)cyclohexyl]amino]ethyl]imidazolidin-2-one
CID 62522416
1-[2-[(2-Hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one
CID 64910755
1-[2-[(1-Hydroxy-4-methylcyclohexyl)methylamino]ethyl]imidazolidin-2-one
CID 65120599
1-[2-[(2-Hydroxycyclopentyl)methylamino]ethyl]imidazolidin-2-one
CID 65837827
1-[2-[[2-(Hydroxymethyl)cyclohexyl]methylamino]ethyl]imidazolidin-2-one
CID 65904953

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one (CID 106133692) is 1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCC1CCC(O)CC1.
What is the InChIKey of 1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is SZFAOGBWTLTQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-11-3-1-10(2-4-11)9-13-5-7-15-8-6-14-12(15)17/h10-11,13,16H,1-9H2,(H,14,17).
What are the key properties of 1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 106133692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).