1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone

C17H27N3O2 — CID 136547178

IUPAC1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)N1CCCC1C1CC(C)CCC1O
InChIInChI=1S/C17H27N3O2/c1-12-5-6-16(21)14(10-12)15-4-3-8-20(15)17(22)11-19-9-7-18-13(19)2/h7,9,12,14-16,21H,3-6,8,10-11H2,1-2H3
InChIKeyNIWHSSZIZWSBFK-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.98
Rot. Bonds3

About 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone

1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 136547178) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
PubChem CID136547178
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)N1CCCC1C1CC(C)CCC1O
InChIInChI=1S/C17H27N3O2/c1-12-5-6-16(21)14(10-12)15-4-3-8-20(15)17(22)11-19-9-7-18-13(19)2/h7,9,12,14-16,21H,3-6,8,10-11H2,1-2H3
InChIKeyNIWHSSZIZWSBFK-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone with MolForge

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Related Compounds

2-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339717
4-Methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 63026697
4-Ethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 63026698
2-[[Methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-ol
CID 63026860
4-Tert-butyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 63026861
2-[[Methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63027033
4,4-Dimethyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 64401657
1-(3-Methylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79743979
2-(1-Ethylimidazol-2-yl)-1-(3-methylcyclohexyl)ethanol
CID 79743980
1-(3-Methylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744068
1-(3-Ethylcyclohexyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79751641
1-(3-Ethylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79751642

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone (CID 136547178) is 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone is Cc1nccn1CC(=O)N1CCCC1C1CC(C)CCC1O.
What is the InChIKey of 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is NIWHSSZIZWSBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-5-6-16(21)14(10-12)15-4-3-8-20(15)17(22)11-19-9-7-18-13(19)2/h7,9,12,14-16,21H,3-6,8,10-11H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone?
1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 305.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 136547178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).