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

C24H16F3N5O3 — CID 46228766

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C24H16F3N5O3/c25-24(26,27)21-17(13-28-32(21)15-7-2-1-3-8-15)22(33)29-14-6-4-9-16(12-14)35-19-11-5-10-18-20(19)31-23(34)30-18/h1-13H,(H,29,33)(H2,30,31,34)
InChIKeyUMKFRNOJMMUSEL-UHFFFAOYSA-N
MW479.42 g/mol
LogP5.11
Rot. Bonds5

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

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46228766) has the molecular formula C24H16F3N5O3 and a molecular weight of 479.42 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46228766
Molecular FormulaC24H16F3N5O3
Molecular Weight479.42 g/mol
Exact Mass479.12
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C24H16F3N5O3/c25-24(26,27)21-17(13-28-32(21)15-7-2-1-3-8-15)22(33)29-14-6-4-9-16(12-14)35-19-11-5-10-18-20(19)31-23(34)30-18/h1-13H,(H,29,33)(H2,30,31,34)
InChIKeyUMKFRNOJMMUSEL-UHFFFAOYSA-N
XLogP5.11
TPSA104.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.42
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide 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 N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 46228766) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UMKFRNOJMMUSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O3/c25-24(26,27)21-17(13-28-32(21)15-7-2-1-3-8-15)22(33)29-14-6-4-9-16(12-14)35-19-11-5-10-18-20(19)31-23(34)30-18/h1-13H,(H,29,33)(H2,30,31,34).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 479.42 g/mol, XLogP of 5.11, 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]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46228766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).