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

C20H23N3 — CID 10357759

IUPAC2-[(2Z)-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-MFOYZWKCSA-N
MW305.43 g/mol
LogP3.47
Rot. Bonds4

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

2-[(2Z)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole (PubChem CID 10357759) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[(2Z)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name2-[(2Z)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
PubChem CID10357759
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name2-[(2Z)-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-MFOYZWKCSA-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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Related Compounds

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CID 15897930
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n-Methylharman
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1-Ethylpyrrolo[2,3-h]quinoline
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1-Ethyl-3h-pyrrolo[2,3-h]quinoline
CID 129782498
1-Ethylpyrazoloquinoline
CID 129794162
Methylene-3,4,4a,8-tetrahydropyrido[1,2-a]benzimidazole
CID 129794861
1-Methylpyrroloquinoline
CID 129800346
N-ethylpyrroloindole
CID 129873132
beta-Carbolinoindolizine
CID 129874838
Tetrahydrobenzo[b]pyrrolo[2,1-f][1,6]naphthyridine
CID 129879895
N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine
CID 134873276

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The IUPAC name of 2-[(2Z)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole (CID 10357759) is 2-[(2Z)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 2-[(2Z)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The canonical SMILES for 2-[(2Z)-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-[(2Z)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
The InChIKey is ACJFOAVRLQDBAX-MFOYZWKCSA-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-[(2Z)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole?
2-[(2Z)-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-[(2Z)-2-(1-butyl-2-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 10357759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).