5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one

C14H11BrFN3O — CID 62375735

IUPAC5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc(F)cc1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C14H11BrFN3O/c15-10-6-12-11(18-14(20)19-12)5-9(10)13(17)7-1-3-8(16)4-2-7/h1-6,13H,17H2,(H2,18,19,20)
InChIKeyXPLGDRYCFRUNCY-UHFFFAOYSA-N
MW336.16 g/mol
LogP2.81
Rot. Bonds2

About 5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one

5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one (PubChem CID 62375735) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
PubChem CID62375735
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc(F)cc1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C14H11BrFN3O/c15-10-6-12-11(18-14(20)19-12)5-9(10)13(17)7-1-3-8(16)4-2-7/h1-6,13H,17H2,(H2,18,19,20)
InChIKeyXPLGDRYCFRUNCY-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

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Frequently Asked Questions

What is the IUPAC name of 5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one (CID 62375735) is 5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one is NC(c1ccc(F)cc1)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XPLGDRYCFRUNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c15-10-6-12-11(18-14(20)19-12)5-9(10)13(17)7-1-3-8(16)4-2-7/h1-6,13H,17H2,(H2,18,19,20).
What are the key properties of 5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one?
5-[amino-(4-fluorophenyl)methyl]-6-bromo-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-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62375735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).