[1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate

C19H14F2N2O3 — CID 17461657

IUPAC[1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2nccn2C(F)F)oc2c1ccc1ccccc12
InChIInChI=1S/C19H14F2N2O3/c1-11-13-7-6-12-4-2-3-5-14(12)17(13)26-16(11)18(24)25-10-15-22-8-9-23(15)19(20)21/h2-9,19H,10H2,1H3
InChIKeyPMPXAIMGZVALNZ-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.84
Rot. Bonds4

About [1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate

[1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate (PubChem CID 17461657) has the molecular formula C19H14F2N2O3 and a molecular weight of 356.33 g/mol. Its IUPAC name is [1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate.

Molecular Properties

Compound Name[1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate
PubChem CID17461657
Molecular FormulaC19H14F2N2O3
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name[1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2nccn2C(F)F)oc2c1ccc1ccccc12
InChIInChI=1S/C19H14F2N2O3/c1-11-13-7-6-12-4-2-3-5-14(12)17(13)26-16(11)18(24)25-10-15-22-8-9-23(15)19(20)21/h2-9,19H,10H2,1H3
InChIKeyPMPXAIMGZVALNZ-UHFFFAOYSA-N
XLogP4.84
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 30591489
[1-(difluoromethyl)imidazol-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16617523
pyridin-2-ylmethyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 43021599
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8848939
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8639358
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8639256
(2-oxochromen-7-yl) 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 7920887
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8639379
2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid
CID 120519175
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8806417
[1-(difluoromethyl)imidazol-2-yl]methyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
CID 16617489
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate?
The IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate (CID 17461657) is [1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate.
What is the SMILES notation for [1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate?
The canonical SMILES for [1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate is Cc1c(C(=O)OCc2nccn2C(F)F)oc2c1ccc1ccccc12.
What is the InChIKey of [1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate?
The InChIKey is PMPXAIMGZVALNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3/c1-11-13-7-6-12-4-2-3-5-14(12)17(13)26-16(11)18(24)25-10-15-22-8-9-23(15)19(20)21/h2-9,19H,10H2,1H3.
What are the key properties of [1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate?
[1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate has a molecular weight of 356.33 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)imidazol-2-yl]methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate is sourced from PubChem (CID 17461657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).