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

C13H11Br2N3OS — CID 107960973

IUPAC5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1csc(Br)c1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H11Br2N3OS/c1-16-12(6-2-11(15)20-5-6)7-3-9-10(4-8(7)14)18-13(19)17-9/h2-5,12,16H,1H3,(H2,17,18,19)
InChIKeyRAQJZAQGMTVUAU-UHFFFAOYSA-N
MW417.13 g/mol
LogP3.75
Rot. Bonds3

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

5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 107960973) has the molecular formula C13H11Br2N3OS and a molecular weight of 417.13 g/mol. Its IUPAC name is 5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID107960973
Molecular FormulaC13H11Br2N3OS
Molecular Weight417.13 g/mol
Exact Mass414.90
IUPAC Name5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1csc(Br)c1)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H11Br2N3OS/c1-16-12(6-2-11(15)20-5-6)7-3-9-10(4-8(7)14)18-13(19)17-9/h2-5,12,16H,1H3,(H2,17,18,19)
InChIKeyRAQJZAQGMTVUAU-UHFFFAOYSA-N
XLogP3.75
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.13
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375397
5-bromo-6-[(5-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375563
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107960685
5-bromo-6-[(2-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375239
1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 106647686
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
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830
1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 107960902
5-bromo-6-[2,2-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62678786
5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62373407
5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 82758247

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 107960973) is 5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1csc(Br)c1)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is RAQJZAQGMTVUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3OS/c1-16-12(6-2-11(15)20-5-6)7-3-9-10(4-8(7)14)18-13(19)17-9/h2-5,12,16H,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 417.13 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(5-bromothiophen-3-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 107960973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).