5-(1-adamantyl)-2-methyl-1H-imidazole

C14H20N2 — CID 3116427

IUPAC5-(1-adamantyl)-2-methyl-1H-imidazole
SMILESCc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C14H20N2/c1-9-15-8-13(16-9)14-5-10-2-11(6-14)4-12(3-10)7-14/h8,10-12H,2-7H2,1H3,(H,15,16)
InChIKeyLUZKLJOGUSUWKT-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.19
Rot. Bonds1

About 5-(1-adamantyl)-2-methyl-1H-imidazole

5-(1-adamantyl)-2-methyl-1H-imidazole (PubChem CID 3116427) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-(1-adamantyl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-(1-adamantyl)-2-methyl-1H-imidazole
PubChem CID3116427
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-(1-adamantyl)-2-methyl-1H-imidazole
SMILESCc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C14H20N2/c1-9-15-8-13(16-9)14-5-10-2-11(6-14)4-12(3-10)7-14/h8,10-12H,2-7H2,1H3,(H,15,16)
InChIKeyLUZKLJOGUSUWKT-UHFFFAOYSA-N
XLogP3.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(1-adamantyl)-2-methyl-1H-imidazole 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

4-(6-Cyclohexyl-hex-3-ynyl)-1H-imidazole
CID 10220233
4-[3-(1h-Imidazol-4-yl)propyl]piperidine
CID 10330240
4-(cyclohexylmethyl)-1H-imidazole
CID 9793921
N-Cyclohexylmethyl-N''-[3-(1H-imidazol-4-yl)-propyl]-guanidine
CID 10332982
3-[3-(1H-imidazol-5-yl)propyl]piperidine
CID 11159854
3-[2-(1H-imidazol-5-yl)ethyl]piperidine
CID 11171320
4-(2-(1H-Imidazol-4-yl)ethyl)-1-ethylpiperidine
CID 11337639
4-[2-(1H-imidazol-5-yl)ethyl]-1-methylpiperidine
CID 11739735
(1R,2S)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1-(1H-imidazol-4-yl)cyclopropane
CID 16006947
(1R,2R)-trans-2-(cyclohexylmethylamino)methyl-1-(1H-imidazol-4yl)cyclopropane
CID 16082822
(1S,2S)-trans-2-(cyclohexylmethylamino)methyl-1-(1H-imidazol-4-yl)cyclopropane
CID 16082826
(1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1-(1H-imidazol-4-yl)cyclopropane
CID 16082833

Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-2-methyl-1H-imidazole?
The IUPAC name of 5-(1-adamantyl)-2-methyl-1H-imidazole (CID 3116427) is 5-(1-adamantyl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-(1-adamantyl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-(1-adamantyl)-2-methyl-1H-imidazole is Cc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1.
What is the InChIKey of 5-(1-adamantyl)-2-methyl-1H-imidazole?
The InChIKey is LUZKLJOGUSUWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-15-8-13(16-9)14-5-10-2-11(6-14)4-12(3-10)7-14/h8,10-12H,2-7H2,1H3,(H,15,16).
What are the key properties of 5-(1-adamantyl)-2-methyl-1H-imidazole?
5-(1-adamantyl)-2-methyl-1H-imidazole has a molecular weight of 216.33 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-2-methyl-1H-imidazole is sourced from PubChem (CID 3116427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).