8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole

C112H84N12O3S3 — CID 159060591

IUPAC8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESCc1ccc2c(c1)n1c3ccccc3nc1n2-c1ccccc1.Cc1cccc(-n2c3ccccc3n3c4ccccc4nc23)c1.Cc1cccc2c1oc1cnccc12.Cc1cccc2c1oc1ncccc12.Cc1cccc2c1sc1cnccc12.Cc1cccc2c1sc1ncccc12.Cc1nccc2c1oc1ccccc12.Cc1nccc2c1sc1ccccc12
InChIInChI=1S/2C20H15N3.3C12H9NO.3C12H9NS/c1-14-7-6-8-15(13-14)22-18-11-4-5-12-19(18)23-17-10-3-2-9-16(17)21-20(22)23;1-14-11-12-18-19(13-14)23-17-10-6-5-9-16(17)21-20(23)22(18)15-7-3-2-4-8-15;1-8-4-2-5-9-10-6-3-7-13-12(10)14-11(8)9;1-8-3-2-4-10-9-5-6-13-7-11(9)14-12(8)10;1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;1-8-4-2-5-9-10-6-3-7-13-12(10)14-11(8)9;1-8-3-2-4-10-9-5-6-13-7-11(9)14-12(8)10;1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2*2-13H,1H3;6*2-7H,1H3
InChIKeyJYKLCQGJTAIXLR-UHFFFAOYSA-N
MW1742.19 g/mol
LogP30.62
Rot. Bonds2

About 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole

8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 159060591) has the molecular formula C112H84N12O3S3 and a molecular weight of 1742.19 g/mol. Its IUPAC name is 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID159060591
Molecular FormulaC112H84N12O3S3
Molecular Weight1742.19 g/mol
Exact Mass1740.60
IUPAC Name8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESCc1ccc2c(c1)n1c3ccccc3nc1n2-c1ccccc1.Cc1cccc(-n2c3ccccc3n3c4ccccc4nc23)c1.Cc1cccc2c1oc1cnccc12.Cc1cccc2c1oc1ncccc12.Cc1cccc2c1sc1cnccc12.Cc1cccc2c1sc1ncccc12.Cc1nccc2c1oc1ccccc12.Cc1nccc2c1sc1ccccc12
InChIInChI=1S/2C20H15N3.3C12H9NO.3C12H9NS/c1-14-7-6-8-15(13-14)22-18-11-4-5-12-19(18)23-17-10-3-2-9-16(17)21-20(22)23;1-14-11-12-18-19(13-14)23-17-10-6-5-9-16(17)21-20(23)22(18)15-7-3-2-4-8-15;1-8-4-2-5-9-10-6-3-7-13-12(10)14-11(8)9;1-8-3-2-4-10-9-5-6-13-7-11(9)14-12(8)10;1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;1-8-4-2-5-9-10-6-3-7-13-12(10)14-11(8)9;1-8-3-2-4-10-9-5-6-13-7-11(9)14-12(8)10;1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2*2-13H,1H3;6*2-7H,1H3
InChIKeyJYKLCQGJTAIXLR-UHFFFAOYSA-N
XLogP30.62
TPSA161.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds2
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001742.19
LogP ≤ 530.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

CID 158466648
CID 158466648
CID 159159957
CID 159159957
CID 159617407
CID 159617407
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160153675
CID 160462532
CID 160462532
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
Heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
CID 160721412
6-[5-(Benzimidazolo[2,1-b][1,3]benzothiazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-10-(5-methylbenzimidazolo[1,2-a]benzimidazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 117854962
6-[5-(Benzimidazolo[2,1-b][1,3]benzothiazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-10-[2-(2-ethenyl-3-methylimidazo[1,2-a]benzimidazol-1-yl)ethenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 123323539
6-[2-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 129253560
7-[27-[13-(Benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-2,5,8,11,14,17,20,23-octazanonacyclo[22.18.0.03,22.04,9.010,15.016,21.025,30.031,36.037,42]dotetraconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31,33,35,37,39,41-henicosaen-6-yl]-2,5,8,11,14,17,20,23-octazanonacyclo[22.18.0.03,22.04,9.010,15.016,21.025,30.031,36.037,42]dotetraconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25(30),26,28,31(36),32,34,37,39,41-henicosaen-33-yl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 137458380

Frequently Asked Questions

What is the IUPAC name of 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole (CID 159060591) is 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole is Cc1ccc2c(c1)n1c3ccccc3nc1n2-c1ccccc1.Cc1cccc(-n2c3ccccc3n3c4ccccc4nc23)c1.Cc1cccc2c1oc1cnccc12.Cc1cccc2c1oc1ncccc12.Cc1cccc2c1sc1cnccc12.Cc1cccc2c1sc1ncccc12.Cc1nccc2c1oc1ccccc12.Cc1nccc2c1sc1ccccc12.
What is the InChIKey of 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is JYKLCQGJTAIXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15N3.3C12H9NO.3C12H9NS/c1-14-7-6-8-15(13-14)22-18-11-4-5-12-19(18)23-17-10-3-2-9-16(17)21-20(22)23;1-14-11-12-18-19(13-14)23-17-10-6-5-9-16(17)21-20(23)22(18)15-7-3-2-4-8-15;1-8-4-2-5-9-10-6-3-7-13-12(10)14-11(8)9;1-8-3-2-4-10-9-5-6-13-7-11(9)14-12(8)10;1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;1-8-4-2-5-9-10-6-3-7-13-12(10)14-11(8)9;1-8-3-2-4-10-9-5-6-13-7-11(9)14-12(8)10;1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2*2-13H,1H3;6*2-7H,1H3.
What are the key properties of 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1742.19 g/mol, XLogP of 30.62, 2 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 159060591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).