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

C15H22N2 — CID 91474505

IUPAC2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole
SMILESCc1ncc(C2C3CC4CC(C3)CC2(C)C4)[nH]1
InChIInChI=1S/C15H22N2/c1-9-16-8-13(17-9)14-12-4-10-3-11(5-12)7-15(14,2)6-10/h8,10-12,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyYUTWPJZMJNVNQG-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.65
Rot. Bonds1

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

2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole (PubChem CID 91474505) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole
PubChem CID91474505
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole
SMILESCc1ncc(C2C3CC4CC(C3)CC2(C)C4)[nH]1
InChIInChI=1S/C15H22N2/c1-9-16-8-13(17-9)14-12-4-10-3-11(5-12)7-15(14,2)6-10/h8,10-12,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyYUTWPJZMJNVNQG-UHFFFAOYSA-N
XLogP3.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole?
The IUPAC name of 2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole (CID 91474505) is 2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole.
What is the SMILES notation for 2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole?
The canonical SMILES for 2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole is Cc1ncc(C2C3CC4CC(C3)CC2(C)C4)[nH]1.
What is the InChIKey of 2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole?
The InChIKey is YUTWPJZMJNVNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-9-16-8-13(17-9)14-12-4-10-3-11(5-12)7-15(14,2)6-10/h8,10-12,14H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole?
2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole has a molecular weight of 230.35 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methyl-2-adamantyl)-1H-imidazole is sourced from PubChem (CID 91474505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).