6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole

C25H24N4O2 — CID 22978202

IUPAC6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole
SMILESCOc1cc(C)c(-c2ccc3c(-c4nc5ccccc5n4C)nn(C)c3c2)cc1OC
InChIInChI=1S/C25H24N4O2/c1-15-12-22(30-4)23(31-5)14-18(15)16-10-11-17-21(13-16)29(3)27-24(17)25-26-19-8-6-7-9-20(19)28(25)2/h6-14H,1-5H3
InChIKeyZCSWGALWWRRARF-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.12
Rot. Bonds4

About 6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole

6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole (PubChem CID 22978202) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole.

Molecular Properties

Compound Name6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole
PubChem CID22978202
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole
SMILESCOc1cc(C)c(-c2ccc3c(-c4nc5ccccc5n4C)nn(C)c3c2)cc1OC
InChIInChI=1S/C25H24N4O2/c1-15-12-22(30-4)23(31-5)14-18(15)16-10-11-17-21(13-16)29(3)27-24(17)25-26-19-8-6-7-9-20(19)28(25)2/h6-14H,1-5H3
InChIKeyZCSWGALWWRRARF-UHFFFAOYSA-N
XLogP5.12
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-(1H-Benzimidazol-2-YL)-1H-indazol-6-YL)-2-methoxyphenol
CID 135446004
1-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-2-amine
CID 91801232
2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol
CID 135928471
2-(1H-indazol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 136929557
Kealiinine B
CID 23248790
2-[2-[6-[5-[(3,4-Dimethoxyphenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 71547205
3-(3-methoxy-4-((4-(perfluoroethyl)benzyl)oxy)benzyl)-6-(1-methyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-2-amine
CID 118009825
3-[[3-Methoxy-4-[[4-(2,2,2-trifluoroethyl)phenyl]methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 118009829
1-(1-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)phenyl)ethyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-2-amine
CID 118009835
4-[3-(6-amino-1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
CID 136123435
1-[1-[3-Methoxy-4-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]phenyl]ethyl]-5-(1-methylpyrazol-4-yl)benzimidazole
CID 118009838
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxy-5-methylphenol
CID 136115608

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole?
The IUPAC name of 6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole (CID 22978202) is 6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole.
What is the SMILES notation for 6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole?
The canonical SMILES for 6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole is COc1cc(C)c(-c2ccc3c(-c4nc5ccccc5n4C)nn(C)c3c2)cc1OC.
What is the InChIKey of 6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole?
The InChIKey is ZCSWGALWWRRARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-15-12-22(30-4)23(31-5)14-18(15)16-10-11-17-21(13-16)29(3)27-24(17)25-26-19-8-6-7-9-20(19)28(25)2/h6-14H,1-5H3.
What are the key properties of 6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole?
6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole has a molecular weight of 412.49 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethoxy-2-methylphenyl)-1-methyl-3-(1-methylbenzimidazol-2-yl)indazole is sourced from PubChem (CID 22978202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).