2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole)

C256H325N43O19 — CID 161109825

IUPAC2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole)
SMILESCc1c[nH]c(C)c1.Cc1c[nH]cc1C.Cc1cc(C)c2ccoc2c1.Cc1cc(C)on1.Cc1cc2c(C)cccc2o1.Cc1cc2cccc(C)c2o1.Cc1cc[nH]c1C.Cc1ccc(C)[nH]1.Cc1ccc(C)c2occc12.Cc1ccc2c(C)coc2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2ccoc2c1C.Cc1ccc2oc(C)cc2c1.Cc1ccc2occ(C)c2c1.Cc1ccc2occc2c1C.Cc1cccc2occ(C)c12.Cc1cccn1C.Cc1ccn(C)c1.Cc1cn(C)cn1.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cncn1C.Cc1cnoc1C.Cc1coc(C)n1.Cc1coc2c(C)cccc12.Cc1conc1C.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.Cc1nc[nH]c1C.Cc1nccn1C.Cc1ncn(C)n1.Cc1ncnn1C.Cc1ncoc1C.Cc1nncn1C.Cc1oc2ccccc2c1C
InChIInChI=1S/13C10H10O.6C6H9N.8C5H8N2.6C5H7NO.5C4H7N3/c1-7-5-8(2)9-3-4-11-10(9)6-7;1-7-3-4-10-9(5-7)8(2)6-11-10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-10-9(8(7)2)5-6-11-10;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-3-4-8(2)10-9(7)5-6-11-10;1-7-4-3-5-10-9(7)6-8(2)11-10;1-7-4-3-5-9-10(7)8(2)6-11-9;1-7-4-3-5-9-8(2)6-11-10(7)9;1-7-4-3-5-9-6-8(2)11-10(7)9;1-7-8(2)11-10-6-4-3-5-9(7)10;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-4-5(2)7-3-6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-6-5-3-7(4)2;1-4-5-3-7(2)6-4;1-4-5-3-6-7(4)2;2*1-3-5-4(2)7-6-3/h13*3-6H,1-2H3;2*3-4,7H,1-2H3;2*3-5H,1-2H3;2*3-4,7H,1-2H3;3*3-4H,1-2H3;5*3H,1-2H3,(H,6,7);9*3H,1-2H3;2*1-2H3,(H,5,6,7)
InChIKeyUJNTWXSYNRLAMT-UHFFFAOYSA-N
MW4308.70 g/mol
LogP65.12
Rot. Bonds

About 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole)

2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole) (PubChem CID 161109825) has the molecular formula C256H325N43O19 and a molecular weight of 4308.70 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole).

Molecular Properties

Compound Name2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole)
PubChem CID161109825
Molecular FormulaC256H325N43O19
Molecular Weight4308.70 g/mol
Exact Mass4305.58
IUPAC Name2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole)
SMILESCc1c[nH]c(C)c1.Cc1c[nH]cc1C.Cc1cc(C)c2ccoc2c1.Cc1cc(C)on1.Cc1cc2c(C)cccc2o1.Cc1cc2cccc(C)c2o1.Cc1cc[nH]c1C.Cc1ccc(C)[nH]1.Cc1ccc(C)c2occc12.Cc1ccc2c(C)coc2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2ccoc2c1C.Cc1ccc2oc(C)cc2c1.Cc1ccc2occ(C)c2c1.Cc1ccc2occc2c1C.Cc1cccc2occ(C)c12.Cc1cccn1C.Cc1ccn(C)c1.Cc1cn(C)cn1.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cncn1C.Cc1cnoc1C.Cc1coc(C)n1.Cc1coc2c(C)cccc12.Cc1conc1C.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.Cc1nc[nH]c1C.Cc1nccn1C.Cc1ncn(C)n1.Cc1ncnn1C.Cc1ncoc1C.Cc1nncn1C.Cc1oc2ccccc2c1C
InChIInChI=1S/13C10H10O.6C6H9N.8C5H8N2.6C5H7NO.5C4H7N3/c1-7-5-8(2)9-3-4-11-10(9)6-7;1-7-3-4-10-9(5-7)8(2)6-11-10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-10-9(8(7)2)5-6-11-10;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-3-4-8(2)10-9(7)5-6-11-10;1-7-4-3-5-10-9(7)6-8(2)11-10;1-7-4-3-5-9-10(7)8(2)6-11-9;1-7-4-3-5-9-8(2)6-11-10(7)9;1-7-4-3-5-9-6-8(2)11-10(7)9;1-7-8(2)11-10-6-4-3-5-9(7)10;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-4-5(2)7-3-6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-6-5-3-7(4)2;1-4-5-3-7(2)6-4;1-4-5-3-6-7(4)2;2*1-3-5-4(2)7-6-3/h13*3-6H,1-2H3;2*3-4,7H,1-2H3;2*3-5H,1-2H3;2*3-4,7H,1-2H3;3*3-4H,1-2H3;5*3H,1-2H3,(H,6,7);9*3H,1-2H3;2*1-2H3,(H,5,6,7)
InChIKeyUJNTWXSYNRLAMT-UHFFFAOYSA-N
XLogP65.12
TPSA772.15 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds
Heavy Atoms318
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004308.70
LogP ≤ 565.12
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

Analyze 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole)?
The IUPAC name of 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole) (CID 161109825) is 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole).
What is the SMILES notation for 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole)?
The canonical SMILES for 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole) is Cc1c[nH]c(C)c1.Cc1c[nH]cc1C.Cc1cc(C)c2ccoc2c1.Cc1cc(C)on1.Cc1cc2c(C)cccc2o1.Cc1cc2cccc(C)c2o1.Cc1cc[nH]c1C.Cc1ccc(C)[nH]1.Cc1ccc(C)c2occc12.Cc1ccc2c(C)coc2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2ccoc2c1C.Cc1ccc2oc(C)cc2c1.Cc1ccc2occ(C)c2c1.Cc1ccc2occc2c1C.Cc1cccc2occ(C)c12.Cc1cccn1C.Cc1ccn(C)c1.Cc1cn(C)cn1.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1cncn1C.Cc1cnoc1C.Cc1coc(C)n1.Cc1coc2c(C)cccc12.Cc1conc1C.Cc1n[nH]c(C)n1.Cc1n[nH]c(C)n1.Cc1nc[nH]c1C.Cc1nccn1C.Cc1ncn(C)n1.Cc1ncnn1C.Cc1ncoc1C.Cc1nncn1C.Cc1oc2ccccc2c1C.
What is the InChIKey of 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole)?
The InChIKey is UJNTWXSYNRLAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/13C10H10O.6C6H9N.8C5H8N2.6C5H7NO.5C4H7N3/c1-7-5-8(2)9-3-4-11-10(9)6-7;1-7-3-4-10-9(5-7)8(2)6-11-10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-10-9(8(7)2)5-6-11-10;1-7-3-4-9-5-6-11-10(9)8(7)2;1-7-3-4-8(2)10-9(7)5-6-11-10;1-7-4-3-5-10-9(7)6-8(2)11-10;1-7-4-3-5-9-10(7)8(2)6-11-9;1-7-4-3-5-9-8(2)6-11-10(7)9;1-7-4-3-5-9-6-8(2)11-10(7)9;1-7-8(2)11-10-6-4-3-5-9(7)10;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-4-5(2)7-3-6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-6-5-3-7(4)2;1-4-5-3-7(2)6-4;1-4-5-3-6-7(4)2;2*1-3-5-4(2)7-6-3/h13*3-6H,1-2H3;2*3-4,7H,1-2H3;2*3-5H,1-2H3;2*3-4,7H,1-2H3;3*3-4H,1-2H3;5*3H,1-2H3,(H,6,7);9*3H,1-2H3;2*1-2H3,(H,5,6,7).
What are the key properties of 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole)?
2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole) has a molecular weight of 4308.70 g/mol, XLogP of 65.12, 0 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole) is sourced from PubChem (CID 161109825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).