5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C14H11BrFN3O — CID 43186882

IUPAC5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H11BrFN3O/c15-8-2-3-9(10(16)6-8)13(17)7-1-4-11-12(5-7)19-14(20)18-11/h1-6,13H,17H2,(H2,18,19,20)
InChIKeyFXAGIINPWBRHMB-UHFFFAOYSA-N
MW336.16 g/mol
LogP2.81
Rot. Bonds2

About 5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43186882) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43186882
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H11BrFN3O/c15-8-2-3-9(10(16)6-8)13(17)7-1-4-11-12(5-7)19-14(20)18-11/h1-6,13H,17H2,(H2,18,19,20)
InChIKeyFXAGIINPWBRHMB-UHFFFAOYSA-N
XLogP2.81
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[amino-(4-bromo-2-fluorophenyl)methyl]-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-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43186882) is 5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is NC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)cc1F.
What is the InChIKey of 5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FXAGIINPWBRHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c15-8-2-3-9(10(16)6-8)13(17)7-1-4-11-12(5-7)19-14(20)18-11/h1-6,13H,17H2,(H2,18,19,20).
What are the key properties of 5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 336.16 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43186882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).