1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone

C29H22N6O2 — CID 175678407

IUPAC1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2nc3ccccc3[nH]2)CC1c1cc(-c2cc3ccccc3o2)n(-c2ccccc2)n1
InChIInChI=1S/C29H22N6O2/c1-18(36)34-25(17-24(33-34)29-30-21-12-6-7-13-22(21)31-29)23-16-26(35(32-23)20-10-3-2-4-11-20)28-15-19-9-5-8-14-27(19)37-28/h2-16,25H,17H2,1H3,(H,30,31)
InChIKeyYOMWZZZSROWNNC-UHFFFAOYSA-N
MW486.54 g/mol
LogP5.86
Rot. Bonds4

About 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 175678407) has the molecular formula C29H22N6O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID175678407
Molecular FormulaC29H22N6O2
Molecular Weight486.54 g/mol
Exact Mass486.18
IUPAC Name1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2nc3ccccc3[nH]2)CC1c1cc(-c2cc3ccccc3o2)n(-c2ccccc2)n1
InChIInChI=1S/C29H22N6O2/c1-18(36)34-25(17-24(33-34)29-30-21-12-6-7-13-22(21)31-29)23-16-26(35(32-23)20-10-3-2-4-11-20)28-15-19-9-5-8-14-27(19)37-28/h2-16,25H,17H2,1H3,(H,30,31)
InChIKeyYOMWZZZSROWNNC-UHFFFAOYSA-N
XLogP5.86
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone (CID 175678407) is 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2nc3ccccc3[nH]2)CC1c1cc(-c2cc3ccccc3o2)n(-c2ccccc2)n1.
What is the InChIKey of 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is YOMWZZZSROWNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O2/c1-18(36)34-25(17-24(33-34)29-30-21-12-6-7-13-22(21)31-29)23-16-26(35(32-23)20-10-3-2-4-11-20)28-15-19-9-5-8-14-27(19)37-28/h2-16,25H,17H2,1H3,(H,30,31).
What are the key properties of 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 486.54 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 175678407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).