2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole

C26H24N4O2 — CID 4884646

IUPAC2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole
SMILESCOc1ccc(-c2nn(C)c(-c3ccc(OC)cc3)c2-c2nc3ccccc3n2C)cc1
InChIInChI=1S/C26H24N4O2/c1-29-22-8-6-5-7-21(22)27-26(29)23-24(17-9-13-19(31-3)14-10-17)28-30(2)25(23)18-11-15-20(32-4)16-12-18/h5-16H,1-4H3
InChIKeyIGPADYZVXGYOKR-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.32
Rot. Bonds5

About 2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole

2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole (PubChem CID 4884646) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole
PubChem CID4884646
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole
SMILESCOc1ccc(-c2nn(C)c(-c3ccc(OC)cc3)c2-c2nc3ccccc3n2C)cc1
InChIInChI=1S/C26H24N4O2/c1-29-22-8-6-5-7-21(22)27-26(29)23-24(17-9-13-19(31-3)14-10-17)28-30(2)25(23)18-11-15-20(32-4)16-12-18/h5-16H,1-4H3
InChIKeyIGPADYZVXGYOKR-UHFFFAOYSA-N
XLogP5.32
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole (CID 4884646) is 2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole is COc1ccc(-c2nn(C)c(-c3ccc(OC)cc3)c2-c2nc3ccccc3n2C)cc1.
What is the InChIKey of 2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole?
The InChIKey is IGPADYZVXGYOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-29-22-8-6-5-7-21(22)27-26(29)23-24(17-9-13-19(31-3)14-10-17)28-30(2)25(23)18-11-15-20(32-4)16-12-18/h5-16H,1-4H3.
What are the key properties of 2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole?
2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole has a molecular weight of 424.50 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-methoxyphenyl)-1-methylpyrazol-4-yl]-1-methylbenzimidazole is sourced from PubChem (CID 4884646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).