3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

C26H23N5O2 — CID 135988651

IUPAC3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
SMILESCOc1ccccc1-c1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1
InChIInChI=1S/C26H23N5O2/c1-31-24(26-28-20-11-17-13-27-14-18(17)12-21(20)29-26)25(32)23(30-31)16-9-7-15(8-10-16)19-5-3-4-6-22(19)33-2/h3-12,27,32H,13-14H2,1-2H3,(H,28,29)
InChIKeySKXIHKUKBOUFGM-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.61
Rot. Bonds4

About 3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol

3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (PubChem CID 135988651) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
PubChem CID135988651
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
SMILESCOc1ccccc1-c1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1
InChIInChI=1S/C26H23N5O2/c1-31-24(26-28-20-11-17-13-27-14-18(17)12-21(20)29-26)25(32)23(30-31)16-9-7-15(8-10-16)19-5-3-4-6-22(19)33-2/h3-12,27,32H,13-14H2,1-2H3,(H,28,29)
InChIKeySKXIHKUKBOUFGM-UHFFFAOYSA-N
XLogP4.61
TPSA87.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
The IUPAC name of 3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol (CID 135988651) is 3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
The canonical SMILES for 3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is COc1ccccc1-c1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
The InChIKey is SKXIHKUKBOUFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-31-24(26-28-20-11-17-13-27-14-18(17)12-21(20)29-26)25(32)23(30-31)16-9-7-15(8-10-16)19-5-3-4-6-22(19)33-2/h3-12,27,32H,13-14H2,1-2H3,(H,28,29).
What are the key properties of 3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol?
3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol has a molecular weight of 437.50 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol is sourced from PubChem (CID 135988651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).