2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine

C20H21N3O2 — CID 142081726

IUPAC2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine
SMILESCCCCc1nc(-c2ccc3c(c2)OCO3)c(-c2cccc(C)n2)[nH]1
InChIInChI=1S/C20H21N3O2/c1-3-4-8-18-22-19(14-9-10-16-17(11-14)25-12-24-16)20(23-18)15-7-5-6-13(2)21-15/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,22,23)
InChIKeyMQUFIROKIHCAKY-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.52
Rot. Bonds5

About 2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine

2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine (PubChem CID 142081726) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine
PubChem CID142081726
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine
SMILESCCCCc1nc(-c2ccc3c(c2)OCO3)c(-c2cccc(C)n2)[nH]1
InChIInChI=1S/C20H21N3O2/c1-3-4-8-18-22-19(14-9-10-16-17(11-14)25-12-24-16)20(23-18)15-7-5-6-13(2)21-15/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,22,23)
InChIKeyMQUFIROKIHCAKY-UHFFFAOYSA-N
XLogP4.52
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine
CID 44546379
2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine
CID 159425847
N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 10158985
N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-benzoylbenzamide
CID 10186138
4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-N-ethylbicyclo[2.2.2]octane-1-carboxamide
CID 69010283
4-(1,3-benzodioxol-5-yl)-2-methyl-5-(6-methyl-2-pyridinyl)-1,3-thiazole
CID 68885515
N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]acetamide
CID 10456129
ethyl 2-[4-[2-butyl-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-nitrophenoxy]acetate
CID 142081709
3-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid
CID 142779159
3-[4-(1,3-benzodioxol-5-yl)-5-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1H-imidazol-2-yl]propan-1-amine
CID 70862296
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
6-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-7H-imidazo[1,2-a]imidazole
CID 10087230

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine (CID 142081726) is 2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine is CCCCc1nc(-c2ccc3c(c2)OCO3)c(-c2cccc(C)n2)[nH]1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine?
The InChIKey is MQUFIROKIHCAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-4-8-18-22-19(14-9-10-16-17(11-14)25-12-24-16)20(23-18)15-7-5-6-13(2)21-15/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine?
2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine has a molecular weight of 335.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 142081726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).