1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol

C16H24N2O — CID 155555132

IUPAC1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol
SMILESOC(Cn1ccnc1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O/c19-15(10-18-2-1-17-11-18)9-16-6-12-3-13(7-16)5-14(4-12)8-16/h1-2,11-15,19H,3-10H2
InChIKeySBZBWOFKXKAGSH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds4

About 1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol

1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol (PubChem CID 155555132) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol
PubChem CID155555132
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol
SMILESOC(Cn1ccnc1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O/c19-15(10-18-2-1-17-11-18)9-16-6-12-3-13(7-16)5-14(4-12)8-16/h1-2,11-15,19H,3-10H2
InChIKeySBZBWOFKXKAGSH-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole
CID 21424079
1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
CID 43165900
1-[2-(1-adamantyl)-2-phenylsulfanylethyl]imidazole
CID 21424033
1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
CID 65447755
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 97445983
2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 98880632
6-cyclohexyl-1-imidazol-1-ylhexan-2-ol
CID 21415122
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole
CID 21424100
1-[2-(1-adamantyl)-2-(3-bromo-4-methylphenyl)sulfanylethyl]imidazole
CID 21424088
1-[2-(1-adamantyl)-2-(4-tert-butyl-2-methylphenyl)sulfanylethyl]imidazole
CID 21424039
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol (CID 155555132) is 1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol is OC(Cn1ccnc1)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol?
The InChIKey is SBZBWOFKXKAGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-15(10-18-2-1-17-11-18)9-16-6-12-3-13(7-16)5-14(4-12)8-16/h1-2,11-15,19H,3-10H2.
What are the key properties of 1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol?
1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 2.85, 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-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 155555132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).