2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole

C18H19N3 — CID 11778282

IUPAC2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole
SMILESCCCCN1C=CC(=CC=C2N=c3ccccc3=N2)C=C1
InChIInChI=1S/C18H19N3/c1-2-3-12-21-13-10-15(11-14-21)8-9-18-19-16-6-4-5-7-17(16)20-18/h4-11,13-14H,2-3,12H2,1H3
InChIKeyPNJIVHFKPSXGTM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.85
Rot. Bonds4

About 2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole

2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole (PubChem CID 11778282) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole.

Molecular Properties

Compound Name2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole
PubChem CID11778282
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole
SMILESCCCCN1C=CC(=CC=C2N=c3ccccc3=N2)C=C1
InChIInChI=1S/C18H19N3/c1-2-3-12-21-13-10-15(11-14-21)8-9-18-19-16-6-4-5-7-17(16)20-18/h4-11,13-14H,2-3,12H2,1H3
InChIKeyPNJIVHFKPSXGTM-UHFFFAOYSA-N
XLogP2.85
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Oopcllihquxqnn-uhfffaoysa-
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N,N,2,2-tetramethylbenzimidazol-4-amine
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N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine
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8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),2,4,6,9,11,14,16-octaene
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole?
The IUPAC name of 2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole (CID 11778282) is 2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole.
What is the SMILES notation for 2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole?
The canonical SMILES for 2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole is CCCCN1C=CC(=CC=C2N=c3ccccc3=N2)C=C1.
What is the InChIKey of 2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole?
The InChIKey is PNJIVHFKPSXGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-3-12-21-13-10-15(11-14-21)8-9-18-19-16-6-4-5-7-17(16)20-18/h4-11,13-14H,2-3,12H2,1H3.
What are the key properties of 2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole?
2-[2-(1-butyl-4-pyridinylidene)ethylidene]benzimidazole has a molecular weight of 277.37 g/mol, XLogP of 2.85, 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]benzimidazole is sourced from PubChem (CID 11778282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).