3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one

C15H23N3O2 — CID 167783974

IUPAC3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(n2ccnc2C(O)C2CCCCC2)C1=O
InChIInChI=1S/C15H23N3O2/c1-17-9-7-12(15(17)20)18-10-8-16-14(18)13(19)11-5-3-2-4-6-11/h8,10-13,19H,2-7,9H2,1H3
InChIKeyODFBJTYAEJJEIX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.90
Rot. Bonds3

About 3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one

3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 167783974) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
PubChem CID167783974
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(n2ccnc2C(O)C2CCCCC2)C1=O
InChIInChI=1S/C15H23N3O2/c1-17-9-7-12(15(17)20)18-10-8-16-14(18)13(19)11-5-3-2-4-6-11/h8,10-13,19H,2-7,9H2,1H3
InChIKeyODFBJTYAEJJEIX-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 97075772
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 155914149
(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65400333
1-(1-cyclohexylimidazol-2-yl)ethanol
CID 169132500
cyclohexyl-[1-[(1-methylsulfonylcyclopropyl)methyl]imidazol-2-yl]methanol
CID 167788384
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99946557
(1-methylimidazol-2-yl)-(thian-2-yl)methanol
CID 80622450
3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 146039804
2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole
CID 97175253
(1-methylimidazol-2-yl)-[1-(4,5,6-trimethylpyrimidin-2-yl)piperidin-4-yl]methanol
CID 162635184

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one (CID 167783974) is 3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one is CN1CCC(n2ccnc2C(O)C2CCCCC2)C1=O.
What is the InChIKey of 3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is ODFBJTYAEJJEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-9-7-12(15(17)20)18-10-8-16-14(18)13(19)11-5-3-2-4-6-11/h8,10-13,19H,2-7,9H2,1H3.
What are the key properties of 3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one?
3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 167783974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).