5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

C14H6F5N3O — CID 2356826

IUPAC5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3c(F)c(F)c(F)c(F)c3F)cc2[nH]1
InChIInChI=1S/C14H6F5N3O/c15-9-6(10(16)12(18)13(19)11(9)17)4-20-5-1-2-7-8(3-5)22-14(23)21-7/h1-4H,(H2,21,22,23)/b20-4+
InChIKeyOMWMHMZXKCXFKL-LRNAUUFOSA-N
MW327.21 g/mol
LogP3.30
Rot. Bonds2

About 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 2356826) has the molecular formula C14H6F5N3O and a molecular weight of 327.21 g/mol. Its IUPAC name is 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID2356826
Molecular FormulaC14H6F5N3O
Molecular Weight327.21 g/mol
Exact Mass327.04
IUPAC Name5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3c(F)c(F)c(F)c(F)c3F)cc2[nH]1
InChIInChI=1S/C14H6F5N3O/c15-9-6(10(16)12(18)13(19)11(9)17)4-20-5-1-2-7-8(3-5)22-14(23)21-7/h1-4H,(H2,21,22,23)/b20-4+
InChIKeyOMWMHMZXKCXFKL-LRNAUUFOSA-N
XLogP3.30
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one 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 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 2356826) is 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(/N=C/c3c(F)c(F)c(F)c(F)c3F)cc2[nH]1.
What is the InChIKey of 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OMWMHMZXKCXFKL-LRNAUUFOSA-N. The full InChI is InChI=1S/C14H6F5N3O/c15-9-6(10(16)12(18)13(19)11(9)17)4-20-5-1-2-7-8(3-5)22-14(23)21-7/h1-4H,(H2,21,22,23)/b20-4+.
What are the key properties of 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 327.21 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 2356826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).