1-(1-adamantylmethyl)benzimidazole

C18H22N2 — CID 53326854

IUPAC1-(1-adamantylmethyl)benzimidazole
SMILESc1ccc2c(c1)ncn2CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2/c1-2-4-17-16(3-1)19-12-20(17)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,12-15H,5-11H2
InChIKeyVCTVBZGWZQGMHG-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.25
Rot. Bonds2

About 1-(1-adamantylmethyl)benzimidazole

1-(1-adamantylmethyl)benzimidazole (PubChem CID 53326854) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)benzimidazole.

Molecular Properties

Compound Name1-(1-adamantylmethyl)benzimidazole
PubChem CID53326854
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(1-adamantylmethyl)benzimidazole
SMILESc1ccc2c(c1)ncn2CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2/c1-2-4-17-16(3-1)19-12-20(17)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,12-15H,5-11H2
InChIKeyVCTVBZGWZQGMHG-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)benzimidazole?
The IUPAC name of 1-(1-adamantylmethyl)benzimidazole (CID 53326854) is 1-(1-adamantylmethyl)benzimidazole.
What is the SMILES notation for 1-(1-adamantylmethyl)benzimidazole?
The canonical SMILES for 1-(1-adamantylmethyl)benzimidazole is c1ccc2c(c1)ncn2CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylmethyl)benzimidazole?
The InChIKey is VCTVBZGWZQGMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-4-17-16(3-1)19-12-20(17)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,12-15H,5-11H2.
What are the key properties of 1-(1-adamantylmethyl)benzimidazole?
1-(1-adamantylmethyl)benzimidazole has a molecular weight of 266.39 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)benzimidazole is sourced from PubChem (CID 53326854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).