[3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol

C20H32N2O — CID 19936860

IUPAC[3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol
SMILESCCCCc1ncc(CO)n1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H32N2O/c1-2-3-4-19-21-13-18(14-23)22(19)6-5-20-10-15-7-16(11-20)9-17(8-15)12-20/h13,15-17,23H,2-12,14H2,1H3
InChIKeyBLFATSPBIQZQGE-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.32
Rot. Bonds7

About [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol

[3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol (PubChem CID 19936860) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol
PubChem CID19936860
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name[3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol
SMILESCCCCc1ncc(CO)n1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H32N2O/c1-2-3-4-19-21-13-18(14-23)22(19)6-5-20-10-15-7-16(11-20)9-17(8-15)12-20/h13,15-17,23H,2-12,14H2,1H3
InChIKeyBLFATSPBIQZQGE-UHFFFAOYSA-N
XLogP4.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol?
The IUPAC name of [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol (CID 19936860) is [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol.
What is the SMILES notation for [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol?
The canonical SMILES for [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol is CCCCc1ncc(CO)n1CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol?
The InChIKey is BLFATSPBIQZQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-2-3-4-19-21-13-18(14-23)22(19)6-5-20-10-15-7-16(11-20)9-17(8-15)12-20/h13,15-17,23H,2-12,14H2,1H3.
What are the key properties of [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol?
[3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol has a molecular weight of 316.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methanol is sourced from PubChem (CID 19936860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).