6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

C18H16N4O2 — CID 136929698

IUPAC6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2cc(-c3nc4ccc(OC)cc4[nH]3)[nH]n2)cc1
InChIInChI=1S/C18H16N4O2/c1-23-12-5-3-11(4-6-12)15-10-17(22-21-15)18-19-14-8-7-13(24-2)9-16(14)20-18/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyGXZIAGFOEAIBBZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.64
Rot. Bonds4

About 6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 136929698) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID136929698
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2cc(-c3nc4ccc(OC)cc4[nH]3)[nH]n2)cc1
InChIInChI=1S/C18H16N4O2/c1-23-12-5-3-11(4-6-12)15-10-17(22-21-15)18-19-14-8-7-13(24-2)9-16(14)20-18/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyGXZIAGFOEAIBBZ-UHFFFAOYSA-N
XLogP3.64
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (CID 136929698) is 6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is COc1ccc(-c2cc(-c3nc4ccc(OC)cc4[nH]3)[nH]n2)cc1.
What is the InChIKey of 6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is GXZIAGFOEAIBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-23-12-5-3-11(4-6-12)15-10-17(22-21-15)18-19-14-8-7-13(24-2)9-16(14)20-18/h3-10H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 320.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 136929698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).