1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol

C18H28N2O — CID 115838051

IUPAC1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H28N2O/c1-17-8-13-7-14(9-17)11-18(10-13,12-17)15(21)3-4-16-19-5-6-20(16)2/h5-6,13-15,21H,3-4,7-12H2,1-2H3
InChIKeyGCQHRORMIIDEBV-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.32
Rot. Bonds4

About 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol

1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 115838051) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID115838051
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H28N2O/c1-17-8-13-7-14(9-17)11-18(10-13,12-17)15(21)3-4-16-19-5-6-20(16)2/h5-6,13-15,21H,3-4,7-12H2,1-2H3
InChIKeyGCQHRORMIIDEBV-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529718
1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529797
3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol
CID 114529819
1-(3-methyl-1-adamantyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065677
2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol
CID 115830404
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529815
1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529884
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
1-(2,2-dimethylcyclopropyl)-2-(1-methylimidazol-2-yl)ethanol
CID 107005402
1-(6-bicyclo[3.1.0]hexanyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837979
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 115838051) is 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol is Cn1ccnc1CCC(O)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is GCQHRORMIIDEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17-8-13-7-14(9-17)11-18(10-13,12-17)15(21)3-4-16-19-5-6-20(16)2/h5-6,13-15,21H,3-4,7-12H2,1-2H3.
What are the key properties of 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 115838051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).