2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole

C20H20N4O2 — CID 137002135

IUPAC2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole
SMILESCOc1cc(CCc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc(OC)c1
InChIInChI=1S/C20H20N4O2/c1-25-15-9-13(10-16(12-15)26-2)7-8-14-11-19(24-23-14)20-21-17-5-3-4-6-18(17)22-20/h3-6,9-12H,7-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyGAMHYLRQXHJKEU-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.76
Rot. Bonds6

About 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole

2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole (PubChem CID 137002135) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole
PubChem CID137002135
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole
SMILESCOc1cc(CCc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc(OC)c1
InChIInChI=1S/C20H20N4O2/c1-25-15-9-13(10-16(12-15)26-2)7-8-14-11-19(24-23-14)20-21-17-5-3-4-6-18(17)22-20/h3-6,9-12H,7-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyGAMHYLRQXHJKEU-UHFFFAOYSA-N
XLogP3.76
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole (CID 137002135) is 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole is COc1cc(CCc2cc(-c3nc4ccccc4[nH]3)n[nH]2)cc(OC)c1.
What is the InChIKey of 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole?
The InChIKey is GAMHYLRQXHJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-25-15-9-13(10-16(12-15)26-2)7-8-14-11-19(24-23-14)20-21-17-5-3-4-6-18(17)22-20/h3-6,9-12H,7-8H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole?
2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole has a molecular weight of 348.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole is sourced from PubChem (CID 137002135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).