1-(1-adamantylmethyl)imidazole

C14H20N2 — CID 10584844

IUPAC1-(1-adamantylmethyl)imidazole
SMILESc1cn(CC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C14H20N2/c1-2-16(10-15-1)9-14-6-11-3-12(7-14)5-13(4-11)8-14/h1-2,10-13H,3-9H2
InChIKeyONUXQVADXWYYEX-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.10
Rot. Bonds2

About 1-(1-adamantylmethyl)imidazole

1-(1-adamantylmethyl)imidazole (PubChem CID 10584844) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)imidazole.

Molecular Properties

Compound Name1-(1-adamantylmethyl)imidazole
PubChem CID10584844
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(1-adamantylmethyl)imidazole
SMILESc1cn(CC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C14H20N2/c1-2-16(10-15-1)9-14-6-11-3-12(7-14)5-13(4-11)8-14/h1-2,10-13H,3-9H2
InChIKeyONUXQVADXWYYEX-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantylmethyl)imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)imidazole?
The IUPAC name of 1-(1-adamantylmethyl)imidazole (CID 10584844) is 1-(1-adamantylmethyl)imidazole.
What is the SMILES notation for 1-(1-adamantylmethyl)imidazole?
The canonical SMILES for 1-(1-adamantylmethyl)imidazole is c1cn(CC23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of 1-(1-adamantylmethyl)imidazole?
The InChIKey is ONUXQVADXWYYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-16(10-15-1)9-14-6-11-3-12(7-14)5-13(4-11)8-14/h1-2,10-13H,3-9H2.
What are the key properties of 1-(1-adamantylmethyl)imidazole?
1-(1-adamantylmethyl)imidazole has a molecular weight of 216.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)imidazole is sourced from PubChem (CID 10584844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).