2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole

C20H14N4O — CID 2110554

IUPAC2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole
SMILESc1ccc(-c2c(-c3nc4ccccc4[nH]3)n[nH]c2-c2ccco2)cc1
InChIInChI=1S/C20H14N4O/c1-2-7-13(8-3-1)17-18(16-11-6-12-25-16)23-24-19(17)20-21-14-9-4-5-10-15(14)22-20/h1-12H,(H,21,22)(H,23,24)
InChIKeyZFMMKRLTIWSQFR-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.88
Rot. Bonds3

About 2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole

2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole (PubChem CID 2110554) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole
PubChem CID2110554
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole
SMILESc1ccc(-c2c(-c3nc4ccccc4[nH]3)n[nH]c2-c2ccco2)cc1
InChIInChI=1S/C20H14N4O/c1-2-7-13(8-3-1)17-18(16-11-6-12-25-16)23-24-19(17)20-21-14-9-4-5-10-15(14)22-20/h1-12H,(H,21,22)(H,23,24)
InChIKeyZFMMKRLTIWSQFR-UHFFFAOYSA-N
XLogP4.88
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-1H-benzimidazole;hydrochloride
CID 163330035
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2373893
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 57047313
2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2343559
5-(furan-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524531
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(4,6-diphenyl-2-pyridinyl)-1H-benzimidazole
CID 4268760
2-(furan-2-yl)-5-methyl-4-phenyl-1H-imidazole
CID 73335465

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole (CID 2110554) is 2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole is c1ccc(-c2c(-c3nc4ccccc4[nH]3)n[nH]c2-c2ccco2)cc1.
What is the InChIKey of 2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole?
The InChIKey is ZFMMKRLTIWSQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-2-7-13(8-3-1)17-18(16-11-6-12-25-16)23-24-19(17)20-21-14-9-4-5-10-15(14)22-20/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole?
2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole has a molecular weight of 326.36 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole is sourced from PubChem (CID 2110554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).