2-(1-adamantyl)-4-methyl-1H-benzimidazole

C18H22N2 — CID 64722495

IUPAC2-(1-adamantyl)-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(C34CC5CC(CC(C5)C3)C4)nc12
InChIInChI=1S/C18H22N2/c1-11-3-2-4-15-16(11)20-17(19-15)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,19,20)
InChIKeyIAGVFOTZAVQXPF-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.34
Rot. Bonds1

About 2-(1-adamantyl)-4-methyl-1H-benzimidazole

2-(1-adamantyl)-4-methyl-1H-benzimidazole (PubChem CID 64722495) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-adamantyl)-4-methyl-1H-benzimidazole
PubChem CID64722495
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-(1-adamantyl)-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(C34CC5CC(CC(C5)C3)C4)nc12
InChIInChI=1S/C18H22N2/c1-11-3-2-4-15-16(11)20-17(19-15)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,19,20)
InChIKeyIAGVFOTZAVQXPF-UHFFFAOYSA-N
XLogP4.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 2-(1-adamantyl)-4-methyl-1H-benzimidazole (CID 64722495) is 2-(1-adamantyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(1-adamantyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-(1-adamantyl)-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(C34CC5CC(CC(C5)C3)C4)nc12.
What is the InChIKey of 2-(1-adamantyl)-4-methyl-1H-benzimidazole?
The InChIKey is IAGVFOTZAVQXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-11-3-2-4-15-16(11)20-17(19-15)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,19,20).
What are the key properties of 2-(1-adamantyl)-4-methyl-1H-benzimidazole?
2-(1-adamantyl)-4-methyl-1H-benzimidazole has a molecular weight of 266.39 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 64722495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).