1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole

C21H20N2O2 — CID 155138295

IUPAC1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole
SMILESCc1cc2c(cc1N1C=CN(C)C1(C)C)oc1c3ccccc3oc21
InChIInChI=1S/C21H20N2O2/c1-13-11-15-18(12-16(13)23-10-9-22(4)21(23,2)3)25-19-14-7-5-6-8-17(14)24-20(15)19/h5-12H,1-4H3
InChIKeyFJWHKDBJCVALHN-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.60
Rot. Bonds1

About 1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole

1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole (PubChem CID 155138295) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole
PubChem CID155138295
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole
SMILESCc1cc2c(cc1N1C=CN(C)C1(C)C)oc1c3ccccc3oc21
InChIInChI=1S/C21H20N2O2/c1-13-11-15-18(12-16(13)23-10-9-22(4)21(23,2)3)25-19-14-7-5-6-8-17(14)24-20(15)19/h5-12H,1-4H3
InChIKeyFJWHKDBJCVALHN-UHFFFAOYSA-N
XLogP5.60
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758
1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
CID 158099360
(2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole
CID 170175055
1-methyl-2-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)-4-phenylpyridin-1-ium
CID 140827676
3-methyl-2H-[1]benzofuro[2,3-c]pyrrole
CID 130318214
4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane
CID 155603276
1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 165097703
1,2-dimethyl-[1]benzofuro[3,2-b]pyrrol-3-amine
CID 130322219
(3S)-2,3-dimethyl-4-(3-methyldibenzofuran-2-yl)-3,5-dihydro-1H-2,4-benzodiazepine
CID 137454756
8-fluoro-9-methylbenzo[c]chromen-6-one
CID 164685719

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole?
The IUPAC name of 1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole (CID 155138295) is 1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole.
What is the SMILES notation for 1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole?
The canonical SMILES for 1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole is Cc1cc2c(cc1N1C=CN(C)C1(C)C)oc1c3ccccc3oc21.
What is the InChIKey of 1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole?
The InChIKey is FJWHKDBJCVALHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-13-11-15-18(12-16(13)23-10-9-22(4)21(23,2)3)25-19-14-7-5-6-8-17(14)24-20(15)19/h5-12H,1-4H3.
What are the key properties of 1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole?
1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole has a molecular weight of 332.40 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-(3-methyl-[1]benzofuro[3,2-b][1]benzofuran-2-yl)imidazole is sourced from PubChem (CID 155138295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).