3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole

C25H24N4O2 — CID 142037554

IUPAC3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole
SMILESCCOc1cc(CC)c(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)cc1OC
InChIInChI=1S/C25H24N4O2/c1-4-15-13-23(31-5-2)22(30-3)14-18(15)16-10-11-17-21(12-16)28-29-24(17)25-26-19-8-6-7-9-20(19)27-25/h6-14H,4-5H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyXNHSFUKXJPWADL-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.74
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole

3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole (PubChem CID 142037554) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole
PubChem CID142037554
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole
SMILESCCOc1cc(CC)c(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)cc1OC
InChIInChI=1S/C25H24N4O2/c1-4-15-13-23(31-5-2)22(30-3)14-18(15)16-10-11-17-21(12-16)28-29-24(17)25-26-19-8-6-7-9-20(19)27-25/h6-14H,4-5H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyXNHSFUKXJPWADL-UHFFFAOYSA-N
XLogP5.74
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

PF-1367550
CID 135567293
4-(3-(1H-Benzimidazol-2-YL)-1H-indazol-6-YL)-2-methoxyphenol
CID 135446004
2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol
CID 135928471
Indazole-benzimidazole, 12
CID 135928479
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137657080
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185
6-(2-methoxy-4-hydroxyphenyl)-3-1H-benzoimidazol-2-yl-1H-indazole
CID 135839295
3-1H-Benzoimidazol-2-yl-6-(3-hydroxyphenyl)-1H-indazole
CID 135839328
2-(5,6-bis(benzyloxy)-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
CID 136038437
2-(5-(2-methoxyphenoxy)-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
CID 136038471
2-(5-(benzyloxy)-6-methoxy-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
CID 136038596
2-(1H-indazol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 136929557

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole (CID 142037554) is 3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole is CCOc1cc(CC)c(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)cc1OC.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole?
The InChIKey is XNHSFUKXJPWADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-4-15-13-23(31-5-2)22(30-3)14-18(15)16-10-11-17-21(12-16)28-29-24(17)25-26-19-8-6-7-9-20(19)27-25/h6-14H,4-5H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole?
3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole has a molecular weight of 412.49 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-6-(4-ethoxy-2-ethyl-5-methoxyphenyl)-1H-indazole is sourced from PubChem (CID 142037554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).