3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol

C22H20N4O — CID 52972654

IUPAC3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol
SMILESOc1cccc(C2NNC(c3nc4ccccc4[nH]3)C2c2ccccc2)c1
InChIInChI=1S/C22H20N4O/c27-16-10-6-9-15(13-16)20-19(14-7-2-1-3-8-14)21(26-25-20)22-23-17-11-4-5-12-18(17)24-22/h1-13,19-21,25-27H,(H,23,24)
InChIKeyYVJNRILSSDCWRQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.94
Rot. Bonds3

About 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol

3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol (PubChem CID 52972654) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol
PubChem CID52972654
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol
SMILESOc1cccc(C2NNC(c3nc4ccccc4[nH]3)C2c2ccccc2)c1
InChIInChI=1S/C22H20N4O/c27-16-10-6-9-15(13-16)20-19(14-7-2-1-3-8-14)21(26-25-20)22-23-17-11-4-5-12-18(17)24-22/h1-13,19-21,25-27H,(H,23,24)
InChIKeyYVJNRILSSDCWRQ-UHFFFAOYSA-N
XLogP3.94
TPSA72.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol 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 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol?
The IUPAC name of 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol (CID 52972654) is 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol.
What is the SMILES notation for 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol?
The canonical SMILES for 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol is Oc1cccc(C2NNC(c3nc4ccccc4[nH]3)C2c2ccccc2)c1.
What is the InChIKey of 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol?
The InChIKey is YVJNRILSSDCWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-16-10-6-9-15(13-16)20-19(14-7-2-1-3-8-14)21(26-25-20)22-23-17-11-4-5-12-18(17)24-22/h1-13,19-21,25-27H,(H,23,24).
What are the key properties of 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol?
3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol has a molecular weight of 356.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-benzimidazol-2-yl)-4-phenylpyrazolidin-3-yl]phenol is sourced from PubChem (CID 52972654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).