2-hexyl-2-methylbenzimidazole

C14H20N2 — CID 71153015

IUPAC2-hexyl-2-methylbenzimidazole
SMILESCCCCCCC1(C)N=c2ccccc2=N1
InChIInChI=1S/C14H20N2/c1-3-4-5-8-11-14(2)15-12-9-6-7-10-13(12)16-14/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKeyOPMGXGYOEIBQPA-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.63
Rot. Bonds5

About 2-hexyl-2-methylbenzimidazole

2-hexyl-2-methylbenzimidazole (PubChem CID 71153015) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-hexyl-2-methylbenzimidazole.

Molecular Properties

Compound Name2-hexyl-2-methylbenzimidazole
PubChem CID71153015
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-hexyl-2-methylbenzimidazole
SMILESCCCCCCC1(C)N=c2ccccc2=N1
InChIInChI=1S/C14H20N2/c1-3-4-5-8-11-14(2)15-12-9-6-7-10-13(12)16-14/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKeyOPMGXGYOEIBQPA-UHFFFAOYSA-N
XLogP2.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-methylbenzimidazole?
The IUPAC name of 2-hexyl-2-methylbenzimidazole (CID 71153015) is 2-hexyl-2-methylbenzimidazole.
What is the SMILES notation for 2-hexyl-2-methylbenzimidazole?
The canonical SMILES for 2-hexyl-2-methylbenzimidazole is CCCCCCC1(C)N=c2ccccc2=N1.
What is the InChIKey of 2-hexyl-2-methylbenzimidazole?
The InChIKey is OPMGXGYOEIBQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-4-5-8-11-14(2)15-12-9-6-7-10-13(12)16-14/h6-7,9-10H,3-5,8,11H2,1-2H3.
What are the key properties of 2-hexyl-2-methylbenzimidazole?
2-hexyl-2-methylbenzimidazole has a molecular weight of 216.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-methylbenzimidazole is sourced from PubChem (CID 71153015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).