1,4-dimethyl-2-tetradecylbenzimidazole

C23H38N2 — CID 22734762

IUPAC1,4-dimethyl-2-tetradecylbenzimidazole
SMILESCCCCCCCCCCCCCCc1nc2c(C)cccc2n1C
InChIInChI=1S/C23H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24-23-20(2)17-16-18-21(23)25(22)3/h16-18H,4-15,19H2,1-3H3
InChIKeyZZCINIOUQZDJOY-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.13
Rot. Bonds13

About 1,4-dimethyl-2-tetradecylbenzimidazole

1,4-dimethyl-2-tetradecylbenzimidazole (PubChem CID 22734762) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 1,4-dimethyl-2-tetradecylbenzimidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-tetradecylbenzimidazole
PubChem CID22734762
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name1,4-dimethyl-2-tetradecylbenzimidazole
SMILESCCCCCCCCCCCCCCc1nc2c(C)cccc2n1C
InChIInChI=1S/C23H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24-23-20(2)17-16-18-21(23)25(22)3/h16-18H,4-15,19H2,1-3H3
InChIKeyZZCINIOUQZDJOY-UHFFFAOYSA-N
XLogP7.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.13
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 1,4-dimethyl-2-tetradecylbenzimidazole?
The IUPAC name of 1,4-dimethyl-2-tetradecylbenzimidazole (CID 22734762) is 1,4-dimethyl-2-tetradecylbenzimidazole.
What is the SMILES notation for 1,4-dimethyl-2-tetradecylbenzimidazole?
The canonical SMILES for 1,4-dimethyl-2-tetradecylbenzimidazole is CCCCCCCCCCCCCCc1nc2c(C)cccc2n1C.
What is the InChIKey of 1,4-dimethyl-2-tetradecylbenzimidazole?
The InChIKey is ZZCINIOUQZDJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24-23-20(2)17-16-18-21(23)25(22)3/h16-18H,4-15,19H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-tetradecylbenzimidazole?
1,4-dimethyl-2-tetradecylbenzimidazole has a molecular weight of 342.57 g/mol, XLogP of 7.13, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-tetradecylbenzimidazole is sourced from PubChem (CID 22734762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).