6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole

C19H18N4O2 — CID 135988634

IUPAC6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
SMILESCOc1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1
InChIInChI=1S/C19H18N4O2/c1-23-17(18(25-3)16(22-23)12-7-5-4-6-8-12)19-20-14-10-9-13(24-2)11-15(14)21-19/h4-11H,1-3H3,(H,20,21)
InChIKeyRBFFEJXVSPCQNJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.65
Rot. Bonds4

About 6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole

6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole (PubChem CID 135988634) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
PubChem CID135988634
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
SMILESCOc1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1
InChIInChI=1S/C19H18N4O2/c1-23-17(18(25-3)16(22-23)12-7-5-4-6-8-12)19-20-14-10-9-13(24-2)11-15(14)21-19/h4-11H,1-3H3,(H,20,21)
InChIKeyRBFFEJXVSPCQNJ-UHFFFAOYSA-N
XLogP3.65
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole (CID 135988634) is 6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole is COc1ccc2nc(-c3c(OC)c(-c4ccccc4)nn3C)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?
The InChIKey is RBFFEJXVSPCQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-23-17(18(25-3)16(22-23)12-7-5-4-6-8-12)19-20-14-10-9-13(24-2)11-15(14)21-19/h4-11H,1-3H3,(H,20,21).
What are the key properties of 6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole?
6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole has a molecular weight of 334.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 135988634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).