5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

C18H19N3O — CID 671066

IUPAC5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H19N3O/c1-18(2,3)13-6-4-12(5-7-13)11-19-14-8-9-15-16(10-14)21-17(22)20-15/h4-11H,1-3H3,(H2,20,21,22)/b19-11+
InChIKeyNRULHNTXPPTSQZ-YBFXNURJSA-N
MW293.37 g/mol
LogP3.90
Rot. Bonds2

About 5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 671066) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID671066
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H19N3O/c1-18(2,3)13-6-4-12(5-7-13)11-19-14-8-9-15-16(10-14)21-17(22)20-15/h4-11H,1-3H3,(H2,20,21,22)/b19-11+
InChIKeyNRULHNTXPPTSQZ-YBFXNURJSA-N
XLogP3.90
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
CID 2349729
5-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-1,3-dihydro-2H-benzimidazol-2-one
CID 691377
2(1H,3H)-Benzimidazolone, 5-(4-fluorobenzylideneamino)-
CID 620471
5-((1E)-2-phenyl-1-azavinyl)-3-hydrobenzimidazol-2-one
CID 961174
1-(1-Methyl-1-phenyl-ethyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 68053680
5-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-1,3-dihydro-2H-benzimidazol-2-one
CID 695838
5-[(2,3,4,5,6-Pentafluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 2356826
5-[2-(4-Trifluoromethyl-phenyl)-ethylamino]-1,3-dihydro-benzoimidazol-2-one
CID 57570243
5-[(2,4-Difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 23761090
5-[(2,6-Difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 23793503
5-[(3,4-Difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 23906571
5-[1-(3-Fluoro-4-methylphenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 80202977

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 671066) is 5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is CC(C)(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NRULHNTXPPTSQZ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2,3)13-6-4-12(5-7-13)11-19-14-8-9-15-16(10-14)21-17(22)20-15/h4-11H,1-3H3,(H2,20,21,22)/b19-11+.
What are the key properties of 5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 671066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).