2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine

C53H58N12O — CID 157317500

IUPAC2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine
SMILESCc1cc2ccccc2n1C.Cc1cc2ncccc2n1C.Cc1nc2ccncc2n1C.Cc1nc2cnccc2n1C.Cc1nc2ncccc2n1C.Cc1oc2ccccc2c1C
InChIInChI=1S/C10H11N.C10H10O.C9H10N2.3C8H9N3/c1-8-7-9-5-3-4-6-10(9)11(8)2;1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-6-8-9(11(7)2)4-3-5-10-8;1-6-10-7-5-9-4-3-8(7)11(6)2;1-6-10-7-3-4-9-5-8(7)11(6)2;1-6-10-8-7(11(6)2)4-3-5-9-8/h3-7H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyBDTWSGRDYVIBRK-UHFFFAOYSA-N
MW879.13 g/mol
LogP11.25
Rot. Bonds

About 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine

2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine (PubChem CID 157317500) has the molecular formula C53H58N12O and a molecular weight of 879.13 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine
PubChem CID157317500
Molecular FormulaC53H58N12O
Molecular Weight879.13 g/mol
Exact Mass878.49
IUPAC Name2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine
SMILESCc1cc2ccccc2n1C.Cc1cc2ncccc2n1C.Cc1nc2ccncc2n1C.Cc1nc2cnccc2n1C.Cc1nc2ncccc2n1C.Cc1oc2ccccc2c1C
InChIInChI=1S/C10H11N.C10H10O.C9H10N2.3C8H9N3/c1-8-7-9-5-3-4-6-10(9)11(8)2;1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-6-8-9(11(7)2)4-3-5-10-8;1-6-10-7-5-9-4-3-8(7)11(6)2;1-6-10-7-3-4-9-5-8(7)11(6)2;1-6-10-8-7(11(6)2)4-3-5-9-8/h3-7H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyBDTWSGRDYVIBRK-UHFFFAOYSA-N
XLogP11.25
TPSA128.02 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500879.13
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

1-[4-(1-Benzofuran-2-yl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 57960874
5-[[4-(1-Benzofuran-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130543
8-Butyl-14-[7,7-diethyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-ylidene]-3-oxa-17,20-diaza-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123197392
8-Butyl-14-[2-[7,8-diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-3-oxa-17,20-diaza-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123438396
(14E)-14-[1-benzofuran-4-yl(1-benzofuran-7-yl)methylidene]-5-fluoro-19-pyridin-4-yl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaene
CID 156233719
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156669965
[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156671855
3-(3H-dibenzofuran-3-id-2-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;1,7-diphenyl-3-phenyl-5-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;trimethyl-(1-phenyl-3-phenyl-7-pyridin-3-yl-2H-imidazo[4,5-b]pyridin-2-id-5-yl)silane
CID 157133461
2-(3-tert-butylpyrazol-1-id-5-yl)-1-methylpyridin-1-ium;tris(6-(2H-dibenzofuran-2-id-3-yl)pyrido[2,3-b]pyrazine);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium
CID 157398628
bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);2-(3H-dibenzofuran-3-id-4-yl)quinoline;tris(iridium(3+));bis(9-methyl-1-pyrido[2,3-b]pyrazin-6-yl-2H-carbazol-2-ide);9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide;tris(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 157802126
tris(3-(2H-dibenzofuran-2-id-3-yl)pyrido[2,3-b]pyrazine);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 157860594
2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158154707

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine?
The IUPAC name of 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine (CID 157317500) is 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine is Cc1cc2ccccc2n1C.Cc1cc2ncccc2n1C.Cc1nc2ccncc2n1C.Cc1nc2cnccc2n1C.Cc1nc2ncccc2n1C.Cc1oc2ccccc2c1C.
What is the InChIKey of 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine?
The InChIKey is BDTWSGRDYVIBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C10H10O.C9H10N2.3C8H9N3/c1-8-7-9-5-3-4-6-10(9)11(8)2;1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-6-8-9(11(7)2)4-3-5-10-8;1-6-10-7-5-9-4-3-8(7)11(6)2;1-6-10-7-3-4-9-5-8(7)11(6)2;1-6-10-8-7(11(6)2)4-3-5-9-8/h3-7H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3.
What are the key properties of 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine?
2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine has a molecular weight of 879.13 g/mol, XLogP of 11.25, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-benzofuran;1,2-dimethylimidazo[4,5-b]pyridine;1,2-dimethylimidazo[4,5-c]pyridine;2,3-dimethylimidazo[4,5-c]pyridine;1,2-dimethylindole;1,2-dimethylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 157317500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).