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

C15H13BrFN3O — CID 62375239

IUPAC5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccccc1F)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C15H13BrFN3O/c1-18-14(8-4-2-3-5-11(8)17)9-6-12-13(7-10(9)16)20-15(21)19-12/h2-7,14,18H,1H3,(H2,19,20,21)
InChIKeyHCTABNMPGCNUIR-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.07
Rot. Bonds3

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

5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62375239) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62375239
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccccc1F)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C15H13BrFN3O/c1-18-14(8-4-2-3-5-11(8)17)9-6-12-13(7-10(9)16)20-15(21)19-12/h2-7,14,18H,1H3,(H2,19,20,21)
InChIKeyHCTABNMPGCNUIR-UHFFFAOYSA-N
XLogP3.07
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107960973
5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375563
5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375397
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114906280
1-(3,5-dibromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114022874
1-(4-bromo-2-methylphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 115827845
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
CID 62374918
5-bromo-6-[2-ethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62373406
5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62373407
5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62375735

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 62375239) is 5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccccc1F)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HCTABNMPGCNUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O/c1-18-14(8-4-2-3-5-11(8)17)9-6-12-13(7-10(9)16)20-15(21)19-12/h2-7,14,18H,1H3,(H2,19,20,21).
What are the key properties of 5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 350.19 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62375239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).