4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole

C12H12N2O2 — CID 91034197

IUPAC4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole
SMILESCc1cn(-c2ccc(C)c3c2OCO3)cn1
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(12-11(8)15-7-16-12)14-5-9(2)13-6-14/h3-6H,7H2,1-2H3
InChIKeyPLBGPBRXTFRUDC-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.22
Rot. Bonds1

About 4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole

4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole (PubChem CID 91034197) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole.

Molecular Properties

Compound Name4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole
PubChem CID91034197
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole
SMILESCc1cn(-c2ccc(C)c3c2OCO3)cn1
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(12-11(8)15-7-16-12)14-5-9(2)13-6-14/h3-6H,7H2,1-2H3
InChIKeyPLBGPBRXTFRUDC-UHFFFAOYSA-N
XLogP2.22
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5-methyl-2-(4-methylimidazol-1-yl)phenol
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[2-(4-methylimidazol-1-yl)-5-(2-methylpropyl)phenyl]methanol
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8-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]-4-[1-(4-methylphenyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 143815702
1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole
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ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol
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3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole?
The IUPAC name of 4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole (CID 91034197) is 4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole.
What is the SMILES notation for 4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole?
The canonical SMILES for 4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole is Cc1cn(-c2ccc(C)c3c2OCO3)cn1.
What is the InChIKey of 4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole?
The InChIKey is PLBGPBRXTFRUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-4-10(12-11(8)15-7-16-12)14-5-9(2)13-6-14/h3-6H,7H2,1-2H3.
What are the key properties of 4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole?
4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole has a molecular weight of 216.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(7-methyl-1,3-benzodioxol-4-yl)imidazole is sourced from PubChem (CID 91034197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).