4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol

C23H20N4O2 — CID 142037533

IUPAC4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol
SMILESCCc1cc(O)c(OC)cc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C23H20N4O2/c1-3-13-11-20(28)21(29-2)12-16(13)14-8-9-15-19(10-14)26-27-22(15)23-24-17-6-4-5-7-18(17)25-23/h4-12,28H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHFKYSKYZOILFCF-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.05
Rot. Bonds4

About 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol (PubChem CID 142037533) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol
PubChem CID142037533
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol
SMILESCCc1cc(O)c(OC)cc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C23H20N4O2/c1-3-13-11-20(28)21(29-2)12-16(13)14-8-9-15-19(10-14)26-27-22(15)23-24-17-6-4-5-7-18(17)25-23/h4-12,28H,3H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHFKYSKYZOILFCF-UHFFFAOYSA-N
XLogP5.05
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.05
H-Bond Donors ≤ 53
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
Indazole-benzimidazole, 1
CID 135839312
1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 137656346
2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol
CID 135928471
Indazole-benzimidazole, 4
CID 135928472
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-(1H-indazol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 136929557

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol (CID 142037533) is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol is CCc1cc(O)c(OC)cc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol?
The InChIKey is HFKYSKYZOILFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-3-13-11-20(28)21(29-2)12-16(13)14-8-9-15-19(10-14)26-27-22(15)23-24-17-6-4-5-7-18(17)25-23/h4-12,28H,3H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol?
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol has a molecular weight of 384.44 g/mol, XLogP of 5.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-methoxyphenol is sourced from PubChem (CID 142037533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).