N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide

C26H23N5O3 — CID 46228768

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1
InChIInChI=1S/C26H23N5O3/c1-16(2)21-15-22(31(30-21)18-9-4-3-5-10-18)25(32)27-17-8-6-11-19(14-17)34-23-13-7-12-20-24(23)29-26(33)28-20/h3-16H,1-2H3,(H,27,32)(H2,28,29,33)
InChIKeyBIVGEFLFZVFECW-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.21
Rot. Bonds6

About N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 46228768) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID46228768
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1
InChIInChI=1S/C26H23N5O3/c1-16(2)21-15-22(31(30-21)18-9-4-3-5-10-18)25(32)27-17-8-6-11-19(14-17)34-23-13-7-12-20-24(23)29-26(33)28-20/h3-16H,1-2H3,(H,27,32)(H2,28,29,33)
InChIKeyBIVGEFLFZVFECW-UHFFFAOYSA-N
XLogP5.21
TPSA104.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.21
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]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide (CID 46228768) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is BIVGEFLFZVFECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-16(2)21-15-22(31(30-21)18-9-4-3-5-10-18)25(32)27-17-8-6-11-19(14-17)34-23-13-7-12-20-24(23)29-26(33)28-20/h3-16H,1-2H3,(H,27,32)(H2,28,29,33).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 5.21, 6 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]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 46228768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).