1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol

C12H24N2O3 — CID 143806372

IUPAC1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol
SMILESCOC1CCC(CN2C(O)NC(O)C2C)CC1
InChIInChI=1S/C12H24N2O3/c1-8-11(15)13-12(16)14(8)7-9-3-5-10(17-2)6-4-9/h8-13,15-16H,3-7H2,1-2H3
InChIKeyHPRPAPWVJNLSSE-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.08
Rot. Bonds3

About 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol

1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol (PubChem CID 143806372) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol.

Molecular Properties

Compound Name1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol
PubChem CID143806372
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol
SMILESCOC1CCC(CN2C(O)NC(O)C2C)CC1
InChIInChI=1S/C12H24N2O3/c1-8-11(15)13-12(16)14(8)7-9-3-5-10(17-2)6-4-9/h8-13,15-16H,3-7H2,1-2H3
InChIKeyHPRPAPWVJNLSSE-UHFFFAOYSA-N
XLogP0.08
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol?
The IUPAC name of 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol (CID 143806372) is 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol.
What is the SMILES notation for 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol?
The canonical SMILES for 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol is COC1CCC(CN2C(O)NC(O)C2C)CC1.
What is the InChIKey of 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol?
The InChIKey is HPRPAPWVJNLSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8-11(15)13-12(16)14(8)7-9-3-5-10(17-2)6-4-9/h8-13,15-16H,3-7H2,1-2H3.
What are the key properties of 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol?
1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol has a molecular weight of 244.33 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxycyclohexyl)methyl]-5-methylimidazolidine-2,4-diol is sourced from PubChem (CID 143806372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).