4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane

C95H86N14O8 — CID 158963581

IUPAC4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane
SMILESC.COc1cc(-c2cccc3[nH]c(-c4c[nH]c5ccccc45)nc23)cc(OC)c1C.COc1cc(-c2cccc3[nH]c(-c4ccc5[nH]ccc5c4)nc23)cc(OC)c1C.COc1cc(-c2cccc3[nH]c(-c4n[nH]c5ccccc45)nc23)cc(OC)c1C.COc1cc(-c2nccc3[nH]c(-c4ccc5[nH]ccc5c4)nc23)cc(OC)c1C
InChIInChI=1S/2C24H21N3O2.2C23H20N4O2.CH4/c1-14-21(28-2)11-15(12-22(14)29-3)16-8-6-10-20-23(16)27-24(26-20)18-13-25-19-9-5-4-7-17(18)19;1-14-21(28-2)12-17(13-22(14)29-3)18-5-4-6-20-23(18)27-24(26-20)16-7-8-19-15(11-16)9-10-25-19;1-13-19(28-2)11-16(12-20(13)29-3)21-22-18(7-9-25-21)26-23(27-22)15-4-5-17-14(10-15)6-8-24-17;1-13-19(28-2)11-14(12-20(13)29-3)15-8-6-10-18-21(15)25-23(24-18)22-16-7-4-5-9-17(16)26-27-22;/h2*4-13,25H,1-3H3,(H,26,27);4-12,24H,1-3H3,(H,26,27);4-12H,1-3H3,(H,24,25)(H,26,27);1H4
InChIKeyJMXOQKJOJRXKLF-UHFFFAOYSA-N
MW1551.82 g/mol
LogP22.24
Rot. Bonds16

About 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane

4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane (PubChem CID 158963581) has the molecular formula C95H86N14O8 and a molecular weight of 1551.82 g/mol. Its IUPAC name is 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane.

Molecular Properties

Compound Name4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane
PubChem CID158963581
Molecular FormulaC95H86N14O8
Molecular Weight1551.82 g/mol
Exact Mass1550.68
IUPAC Name4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane
SMILESC.COc1cc(-c2cccc3[nH]c(-c4c[nH]c5ccccc45)nc23)cc(OC)c1C.COc1cc(-c2cccc3[nH]c(-c4ccc5[nH]ccc5c4)nc23)cc(OC)c1C.COc1cc(-c2cccc3[nH]c(-c4n[nH]c5ccccc45)nc23)cc(OC)c1C.COc1cc(-c2nccc3[nH]c(-c4ccc5[nH]ccc5c4)nc23)cc(OC)c1C
InChIInChI=1S/2C24H21N3O2.2C23H20N4O2.CH4/c1-14-21(28-2)11-15(12-22(14)29-3)16-8-6-10-20-23(16)27-24(26-20)18-13-25-19-9-5-4-7-17(18)19;1-14-21(28-2)12-17(13-22(14)29-3)18-5-4-6-20-23(18)27-24(26-20)16-7-8-19-15(11-16)9-10-25-19;1-13-19(28-2)11-16(12-20(13)29-3)21-22-18(7-9-25-21)26-23(27-22)15-4-5-17-14(10-15)6-8-24-17;1-13-19(28-2)11-14(12-20(13)29-3)15-8-6-10-18-21(15)25-23(24-18)22-16-7-4-5-9-17(16)26-27-22;/h2*4-13,25H,1-3H3,(H,26,27);4-12,24H,1-3H3,(H,26,27);4-12H,1-3H3,(H,24,25)(H,26,27);1H4
InChIKeyJMXOQKJOJRXKLF-UHFFFAOYSA-N
XLogP22.24
TPSA277.50 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001551.82
LogP ≤ 522.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane with MolForge

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Related Compounds

Indazole-benzimidazole, 6
CID 135928474
4-[2-[4-[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3H-benzimidazol-5-yl]pyrazol-1-yl]ethyl]morpholine
CID 168276803
4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-3-methoxyphenol
CID 135839323
2-(3,5-Dimethoxyphenethyl)-6-(1-methyl-1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 73057762
2-(3,5-Dimethoxyphenethyl)-6-(1-methyl-1H-indazol-6-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 73057763
US9745311, Example 70
CID 73058326
US9776988, Example 27
CID 139208201
6-(3,5-dimethoxyphenyl)-12-fluoro-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-10-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazine
CID 68066899
6-(3,5-dimethoxyphenyl)-10-[2-[(2S)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]-3-[2-[(4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazine
CID 68068114
N-[[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136937781
4-(3-fluoro-5-methoxyphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136938281
4-(3-fluoro-5-methoxyphenyl)-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136938282

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane?
The IUPAC name of 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane (CID 158963581) is 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane.
What is the SMILES notation for 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane?
The canonical SMILES for 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane is C.COc1cc(-c2cccc3[nH]c(-c4c[nH]c5ccccc45)nc23)cc(OC)c1C.COc1cc(-c2cccc3[nH]c(-c4ccc5[nH]ccc5c4)nc23)cc(OC)c1C.COc1cc(-c2cccc3[nH]c(-c4n[nH]c5ccccc45)nc23)cc(OC)c1C.COc1cc(-c2nccc3[nH]c(-c4ccc5[nH]ccc5c4)nc23)cc(OC)c1C.
What is the InChIKey of 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane?
The InChIKey is JMXOQKJOJRXKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H21N3O2.2C23H20N4O2.CH4/c1-14-21(28-2)11-15(12-22(14)29-3)16-8-6-10-20-23(16)27-24(26-20)18-13-25-19-9-5-4-7-17(18)19;1-14-21(28-2)12-17(13-22(14)29-3)18-5-4-6-20-23(18)27-24(26-20)16-7-8-19-15(11-16)9-10-25-19;1-13-19(28-2)11-16(12-20(13)29-3)21-22-18(7-9-25-21)26-23(27-22)15-4-5-17-14(10-15)6-8-24-17;1-13-19(28-2)11-14(12-20(13)29-3)15-8-6-10-18-21(15)25-23(24-18)22-16-7-4-5-9-17(16)26-27-22;/h2*4-13,25H,1-3H3,(H,26,27);4-12,24H,1-3H3,(H,26,27);4-12H,1-3H3,(H,24,25)(H,26,27);1H4.
What are the key properties of 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane?
4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane has a molecular weight of 1551.82 g/mol, XLogP of 22.24, 16 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-benzimidazole;4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-5-yl)-1H-imidazo[4,5-c]pyridine;methane is sourced from PubChem (CID 158963581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).