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

C20H23N3 — CID 14922172

IUPAC2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
SMILESCCCCN1C=CC(=CC=C2N=c3cc(C)c(C)cc3=N2)C=C1
InChIInChI=1S/C20H23N3/c1-4-5-10-23-11-8-17(9-12-23)6-7-20-21-18-13-15(2)16(3)14-19(18)22-20/h6-9,11-14H,4-5,10H2,1-3H3
InChIKeyOGWOYEVNHDFRFZ-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.47
Rot. Bonds4

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

2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole (PubChem CID 14922172) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
PubChem CID14922172
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
SMILESCCCCN1C=CC(=CC=C2N=c3cc(C)c(C)cc3=N2)C=C1
InChIInChI=1S/C20H23N3/c1-4-5-10-23-11-8-17(9-12-23)6-7-20-21-18-13-15(2)16(3)14-19(18)22-20/h6-9,11-14H,4-5,10H2,1-3H3
InChIKeyOGWOYEVNHDFRFZ-UHFFFAOYSA-N
XLogP3.47
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The IUPAC name of 2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole (CID 14922172) is 2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The canonical SMILES for 2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole is CCCCN1C=CC(=CC=C2N=c3cc(C)c(C)cc3=N2)C=C1.
What is the InChIKey of 2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The InChIKey is OGWOYEVNHDFRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-4-5-10-23-11-8-17(9-12-23)6-7-20-21-18-13-15(2)16(3)14-19(18)22-20/h6-9,11-14H,4-5,10H2,1-3H3.
What are the key properties of 2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole has a molecular weight of 305.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-butyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 14922172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).