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

C17H26N2O — CID 114529718

IUPAC1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O/c1-19-5-4-18-16(19)3-2-15(20)17-9-12-6-13(10-17)8-14(7-12)11-17/h4-5,12-15,20H,2-3,6-11H2,1H3
InChIKeyBLYZEDJBSRZLFU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.93
Rot. Bonds4

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

1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 114529718) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID114529718
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O/c1-19-5-4-18-16(19)3-2-15(20)17-9-12-6-13(10-17)8-14(7-12)11-17/h4-5,12-15,20H,2-3,6-11H2,1H3
InChIKeyBLYZEDJBSRZLFU-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115838051
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-(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
N-[(1-methylimidazol-2-yl)methyl]adamantan-1-amine
CID 43142865
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
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529815
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 114529718) is 1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol is Cn1ccnc1CCC(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is BLYZEDJBSRZLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-5-4-18-16(19)3-2-15(20)17-9-12-6-13(10-17)8-14(7-12)11-17/h4-5,12-15,20H,2-3,6-11H2,1H3.
What are the key properties of 1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 114529718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).