2-undecyl-1H-thieno[3,4-d]imidazole

C16H26N2S — CID 21199937

IUPAC2-undecyl-1H-thieno[3,4-d]imidazole
SMILESCCCCCCCCCCCc1nc2cscc2[nH]1
InChIInChI=1S/C16H26N2S/c1-2-3-4-5-6-7-8-9-10-11-16-17-14-12-19-13-15(14)18-16/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyDADVSMGNDKIGOG-UHFFFAOYSA-N
MW278.46 g/mol
LogP5.70
Rot. Bonds10

About 2-undecyl-1H-thieno[3,4-d]imidazole

2-undecyl-1H-thieno[3,4-d]imidazole (PubChem CID 21199937) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-undecyl-1H-thieno[3,4-d]imidazole.

Molecular Properties

Compound Name2-undecyl-1H-thieno[3,4-d]imidazole
PubChem CID21199937
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-undecyl-1H-thieno[3,4-d]imidazole
SMILESCCCCCCCCCCCc1nc2cscc2[nH]1
InChIInChI=1S/C16H26N2S/c1-2-3-4-5-6-7-8-9-10-11-16-17-14-12-19-13-15(14)18-16/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyDADVSMGNDKIGOG-UHFFFAOYSA-N
XLogP5.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
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-undecyl-1H-thieno[3,4-d]imidazole?
The IUPAC name of 2-undecyl-1H-thieno[3,4-d]imidazole (CID 21199937) is 2-undecyl-1H-thieno[3,4-d]imidazole.
What is the SMILES notation for 2-undecyl-1H-thieno[3,4-d]imidazole?
The canonical SMILES for 2-undecyl-1H-thieno[3,4-d]imidazole is CCCCCCCCCCCc1nc2cscc2[nH]1.
What is the InChIKey of 2-undecyl-1H-thieno[3,4-d]imidazole?
The InChIKey is DADVSMGNDKIGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-2-3-4-5-6-7-8-9-10-11-16-17-14-12-19-13-15(14)18-16/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-undecyl-1H-thieno[3,4-d]imidazole?
2-undecyl-1H-thieno[3,4-d]imidazole has a molecular weight of 278.46 g/mol, XLogP of 5.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyl-1H-thieno[3,4-d]imidazole is sourced from PubChem (CID 21199937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).