2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole

C17H18N4O2 — CID 146040358

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
SMILESCn1cc(CCn2ccnc2-c2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C17H18N4O2/c1-20-12-13(11-19-20)4-6-21-7-5-18-17(21)14-2-3-15-16(10-14)23-9-8-22-15/h2-3,5,7,10-12H,4,6,8-9H2,1H3
InChIKeyGSEZENQVWRIOQB-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.30
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole (PubChem CID 146040358) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
PubChem CID146040358
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
SMILESCn1cc(CCn2ccnc2-c2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C17H18N4O2/c1-20-12-13(11-19-20)4-6-21-7-5-18-17(21)14-2-3-15-16(10-14)23-9-8-22-15/h2-3,5,7,10-12H,4,6,8-9H2,1H3
InChIKeyGSEZENQVWRIOQB-UHFFFAOYSA-N
XLogP2.30
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 154819420
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7-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 154566522
1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
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4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)ethyl]-1-methylpyrazole
CID 126828704
formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine
CID 155940294
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-methylpyrazol-4-yl)ethanamine
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1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965179
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80683784
2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole (CID 146040358) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole is Cn1cc(CCn2ccnc2-c2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole?
The InChIKey is GSEZENQVWRIOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20-12-13(11-19-20)4-6-21-7-5-18-17(21)14-2-3-15-16(10-14)23-9-8-22-15/h2-3,5,7,10-12H,4,6,8-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole has a molecular weight of 310.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole is sourced from PubChem (CID 146040358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).