N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide

C23H17N5O3 — CID 46228730

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C23H17N5O3/c29-22(19-12-13-24-28(19)16-7-2-1-3-8-16)25-15-6-4-9-17(14-15)31-20-11-5-10-18-21(20)27-23(30)26-18/h1-14H,(H,25,29)(H2,26,27,30)
InChIKeyAGKKQCOTVRDMKO-UHFFFAOYSA-N
MW411.42 g/mol
LogP4.09
Rot. Bonds5

About N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide (PubChem CID 46228730) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide
PubChem CID46228730
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C23H17N5O3/c29-22(19-12-13-24-28(19)16-7-2-1-3-8-16)25-15-6-4-9-17(14-15)31-20-11-5-10-18-21(20)27-23(30)26-18/h1-14H,(H,25,29)(H2,26,27,30)
InChIKeyAGKKQCOTVRDMKO-UHFFFAOYSA-N
XLogP4.09
TPSA104.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide (CID 46228730) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide is O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccnn1-c1ccccc1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide?
The InChIKey is AGKKQCOTVRDMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c29-22(19-12-13-24-28(19)16-7-2-1-3-8-16)25-15-6-4-9-17(14-15)31-20-11-5-10-18-21(20)27-23(30)26-18/h1-14H,(H,25,29)(H2,26,27,30).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 46228730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).