2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole

C26H35N3 — CID 14922173

IUPAC2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
SMILESCCCCCCCCCCN1C=CC(=CC=C2N=c3cc(C)c(C)cc3=N2)C=C1
InChIInChI=1S/C26H35N3/c1-4-5-6-7-8-9-10-11-16-29-17-14-23(15-18-29)12-13-26-27-24-19-21(2)22(3)20-25(24)28-26/h12-15,17-20H,4-11,16H2,1-3H3
InChIKeyACMWTPLONPEZII-UHFFFAOYSA-N
MW389.59 g/mol
LogP5.81
Rot. Bonds10

About 2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole

2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole (PubChem CID 14922173) has the molecular formula C26H35N3 and a molecular weight of 389.59 g/mol. Its IUPAC name is 2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
PubChem CID14922173
Molecular FormulaC26H35N3
Molecular Weight389.59 g/mol
Exact Mass389.28
IUPAC Name2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
SMILESCCCCCCCCCCN1C=CC(=CC=C2N=c3cc(C)c(C)cc3=N2)C=C1
InChIInChI=1S/C26H35N3/c1-4-5-6-7-8-9-10-11-16-29-17-14-23(15-18-29)12-13-26-27-24-19-21(2)22(3)20-25(24)28-26/h12-15,17-20H,4-11,16H2,1-3H3
InChIKeyACMWTPLONPEZII-UHFFFAOYSA-N
XLogP5.81
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.59
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 54331320
ethane;(2E)-1-methyl-2-[2-[2-methyl-3-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The IUPAC name of 2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole (CID 14922173) is 2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The canonical SMILES for 2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole is CCCCCCCCCCN1C=CC(=CC=C2N=c3cc(C)c(C)cc3=N2)C=C1.
What is the InChIKey of 2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The InChIKey is ACMWTPLONPEZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3/c1-4-5-6-7-8-9-10-11-16-29-17-14-23(15-18-29)12-13-26-27-24-19-21(2)22(3)20-25(24)28-26/h12-15,17-20H,4-11,16H2,1-3H3.
What are the key properties of 2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole has a molecular weight of 389.59 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 14922173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).