5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one

C13H11FN4O — CID 115124720

IUPAC5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one
SMILESNc1cc(F)ccc1Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H11FN4O/c14-7-1-3-10(9(15)5-7)16-8-2-4-11-12(6-8)18-13(19)17-11/h1-6,16H,15H2,(H2,17,18,19)
InChIKeyMPVPGRZKJACBTR-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.32
Rot. Bonds2

About 5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one

5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 115124720) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one
PubChem CID115124720
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one
SMILESNc1cc(F)ccc1Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H11FN4O/c14-7-1-3-10(9(15)5-7)16-8-2-4-11-12(6-8)18-13(19)17-11/h1-6,16H,15H2,(H2,17,18,19)
InChIKeyMPVPGRZKJACBTR-UHFFFAOYSA-N
XLogP2.32
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-amino-4-fluoroanilino)-3H-1,3-benzoxazol-2-one
CID 115124725
4-amino-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]benzonitrile
CID 115127211
4-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 29066750
4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
CID 115124737
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one
CID 115125959
4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148755
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
5-(2-amino-4-fluoroanilino)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 46888437
2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796931
5-(2-amino-4-fluoroanilino)-2-fluorobenzonitrile
CID 62318209
5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 62125418

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one (CID 115124720) is 5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one is Nc1cc(F)ccc1Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MPVPGRZKJACBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-7-1-3-10(9(15)5-7)16-8-2-4-11-12(6-8)18-13(19)17-11/h1-6,16H,15H2,(H2,17,18,19).
What are the key properties of 5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one?
5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 258.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-fluoroanilino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115124720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).