2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole

C18H20N4O3 — CID 56872081

IUPAC2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
SMILESCOc1cc(-c2nccn2C(C)CCn2cccn2)cc2c1OCO2
InChIInChI=1S/C18H20N4O3/c1-13(4-8-21-7-3-5-20-21)22-9-6-19-18(22)14-10-15(23-2)17-16(11-14)24-12-25-17/h3,5-7,9-11,13H,4,8,12H2,1-2H3
InChIKeyLGFOZTOEABHIAW-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.14
Rot. Bonds6

About 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole

2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole (PubChem CID 56872081) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole.

Molecular Properties

Compound Name2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
PubChem CID56872081
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
SMILESCOc1cc(-c2nccn2C(C)CCn2cccn2)cc2c1OCO2
InChIInChI=1S/C18H20N4O3/c1-13(4-8-21-7-3-5-20-21)22-9-6-19-18(22)14-10-15(23-2)17-16(11-14)24-12-25-17/h3,5-7,9-11,13H,4,8,12H2,1-2H3
InChIKeyLGFOZTOEABHIAW-UHFFFAOYSA-N
XLogP3.14
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine
CID 56863217
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592070
2-(5-ethylfuran-2-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
CID 56863819
2-[3-[2-(7-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 70787827
1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole
CID 138384537
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
CID 162638690
formic acid;2-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 154923455
5-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 38610936
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 50977720
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
(2S,4S)-1-[2-(dibutylamino)-2-oxoethyl]-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 54286942
2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 146024410

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
The IUPAC name of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole (CID 56872081) is 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole.
What is the SMILES notation for 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
The canonical SMILES for 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole is COc1cc(-c2nccn2C(C)CCn2cccn2)cc2c1OCO2.
What is the InChIKey of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
The InChIKey is LGFOZTOEABHIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(4-8-21-7-3-5-20-21)22-9-6-19-18(22)14-10-15(23-2)17-16(11-14)24-12-25-17/h3,5-7,9-11,13H,4,8,12H2,1-2H3.
What are the key properties of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole has a molecular weight of 340.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole is sourced from PubChem (CID 56872081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).