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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Related Compounds

5-Bromo-6-methyl-1H-benzo[d]imidazol-2(3H)-one
CID 10105130
5-[1-[(2-Bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43751005
1-Benzyl-5-bromo-1H-benzo[d]imidazol-2(3H)-one
CID 10017835
5-bromo-7-(trifluoromethyl)-1-[3-(trifluoromethyl)benzyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 22327356
6-bromo-1-(4-piperidinyl)-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 59850200
5-bromo-7-(4-fluorophenyl)-3-methyl-1H-benzimidazol-2-one
CID 68805825
6-Bromo-1-(4-piperidinyl)-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-one hydrochloride
CID 69128669
5-Bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one
CID 87581686
6-bromo-1-(3-fluorobenzyl)-1H-benzo[d]imidazol-2(3H)-one
CID 90413959
4-[6-bromo-2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidine-1-carboxylic acid
CID 90764601
1-(5-Bromo-2-(diisobutylamino)-3-fluorophenyl)-3-p-tolylurea
CID 117927445
1-(3-Bromo-6-(diisobutylamino)-2-fluorophenyl)-3-(p-tolyl)urea
CID 117927485

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).