4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol

C20H20N4O2 — CID 687562

IUPAC4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3n2C)c(O)cc1O
InChIInChI=1S/C20H20N4O2/c1-4-12-9-13(17(26)10-16(12)25)19-18(11(2)22-23-19)20-21-14-7-5-6-8-15(14)24(20)3/h5-10,25-26H,4H2,1-3H3,(H,22,23)
InChIKeyAPQCBAKMOBMKMP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.91
Rot. Bonds3

About 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol

4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol (PubChem CID 687562) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol
PubChem CID687562
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol
SMILESCCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3n2C)c(O)cc1O
InChIInChI=1S/C20H20N4O2/c1-4-12-9-13(17(26)10-16(12)25)19-18(11(2)22-23-19)20-21-14-7-5-6-8-15(14)24(20)3/h5-10,25-26H,4H2,1-3H3,(H,22,23)
InChIKeyAPQCBAKMOBMKMP-UHFFFAOYSA-N
XLogP3.91
TPSA86.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol (CID 687562) is 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol is CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3n2C)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol?
The InChIKey is APQCBAKMOBMKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-4-12-9-13(17(26)10-16(12)25)19-18(11(2)22-23-19)20-21-14-7-5-6-8-15(14)24(20)3/h5-10,25-26H,4H2,1-3H3,(H,22,23).
What are the key properties of 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol?
4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol has a molecular weight of 348.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1H-pyrazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 687562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).