2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine

C26H24FN7O — CID 67707134

IUPAC2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine
SMILESCCCCc1nc(F)cn1Cc1ccc(=c2ccccc2=C2N=NN=N2)c(=C2C=CC=CN2O)c1
InChIInChI=1S/C26H24FN7O/c1-2-3-11-25-28-24(27)17-33(25)16-18-12-13-20(22(15-18)23-10-6-7-14-34(23)35)19-8-4-5-9-21(19)26-29-31-32-30-26/h4-10,12-15,17,35H,2-3,11,16H2,1H3
InChIKeyFVIVFJSBODJOQH-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.48
Rot. Bonds5

About 2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine

2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine (PubChem CID 67707134) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine.

Molecular Properties

Compound Name2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine
PubChem CID67707134
Molecular FormulaC26H24FN7O
Molecular Weight469.52 g/mol
Exact Mass469.20
IUPAC Name2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine
SMILESCCCCc1nc(F)cn1Cc1ccc(=c2ccccc2=C2N=NN=N2)c(=C2C=CC=CN2O)c1
InChIInChI=1S/C26H24FN7O/c1-2-3-11-25-28-24(27)17-33(25)16-18-12-13-20(22(15-18)23-10-6-7-14-34(23)35)19-8-4-5-9-21(19)26-29-31-32-30-26/h4-10,12-15,17,35H,2-3,11,16H2,1H3
InChIKeyFVIVFJSBODJOQH-UHFFFAOYSA-N
XLogP4.48
TPSA90.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine?
The IUPAC name of 2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine (CID 67707134) is 2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine.
What is the SMILES notation for 2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine?
The canonical SMILES for 2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine is CCCCc1nc(F)cn1Cc1ccc(=c2ccccc2=C2N=NN=N2)c(=C2C=CC=CN2O)c1.
What is the InChIKey of 2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine?
The InChIKey is FVIVFJSBODJOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c1-2-3-11-25-28-24(27)17-33(25)16-18-12-13-20(22(15-18)23-10-6-7-14-34(23)35)19-8-4-5-9-21(19)26-29-31-32-30-26/h4-10,12-15,17,35H,2-3,11,16H2,1H3.
What are the key properties of 2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine?
2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine has a molecular weight of 469.52 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-butyl-4-fluoroimidazol-1-yl)methyl]-6-[6-(tetrazol-5-ylidene)cyclohexa-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-1-hydroxypyridine is sourced from PubChem (CID 67707134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).