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

C20H23N3 — CID 14922167

IUPAC2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
SMILESCCCCN1C=CC=C/C1=C\C=C1N=c2cc(C)c(C)cc2=N1
InChIInChI=1S/C20H23N3/c1-4-5-11-23-12-7-6-8-17(23)9-10-20-21-18-13-15(2)16(3)14-19(18)22-20/h6-10,12-14H,4-5,11H2,1-3H3/b17-9+
InChIKeyACJFOAVRLQDBAX-RQZCQDPDSA-N
MW305.43 g/mol
LogP3.47
Rot. Bonds4

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

2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole (PubChem CID 14922167) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
PubChem CID14922167
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
SMILESCCCCN1C=CC=C/C1=C\C=C1N=c2cc(C)c(C)cc2=N1
InChIInChI=1S/C20H23N3/c1-4-5-11-23-12-7-6-8-17(23)9-10-20-21-18-13-15(2)16(3)14-19(18)22-20/h6-10,12-14H,4-5,11H2,1-3H3/b17-9+
InChIKeyACJFOAVRLQDBAX-RQZCQDPDSA-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-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The IUPAC name of 2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole (CID 14922167) is 2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The canonical SMILES for 2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole is CCCCN1C=CC=C/C1=C\C=C1N=c2cc(C)c(C)cc2=N1.
What is the InChIKey of 2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The InChIKey is ACJFOAVRLQDBAX-RQZCQDPDSA-N. The full InChI is InChI=1S/C20H23N3/c1-4-5-11-23-12-7-6-8-17(23)9-10-20-21-18-13-15(2)16(3)14-19(18)22-20/h6-10,12-14H,4-5,11H2,1-3H3/b17-9+.
What are the key properties of 2-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
2-[(2E)-2-(1-butyl-2-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-[(2E)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 14922167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).