5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one

C13H11Br2N3OS — CID 107354209

IUPAC5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cc(Br)cs1
InChIInChI=1S/C13H11Br2N3OS/c1-6(12-2-7(14)5-20-12)16-9-4-11-10(3-8(9)15)17-13(19)18-11/h2-6,16H,1H3,(H2,17,18,19)
InChIKeyKNKFTCDOKCVUOP-UHFFFAOYSA-N
MW417.13 g/mol
LogP4.62
Rot. Bonds3

About 5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 107354209) has the molecular formula C13H11Br2N3OS and a molecular weight of 417.13 g/mol. Its IUPAC name is 5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID107354209
Molecular FormulaC13H11Br2N3OS
Molecular Weight417.13 g/mol
Exact Mass414.90
IUPAC Name5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cc(Br)cs1
InChIInChI=1S/C13H11Br2N3OS/c1-6(12-2-7(14)5-20-12)16-9-4-11-10(3-8(9)15)17-13(19)18-11/h2-6,16H,1H3,(H2,17,18,19)
InChIKeyKNKFTCDOKCVUOP-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741369
5-bromo-6-(3-methylbutan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741366
5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741294
5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 103388874
5-bromo-6-(1-pyridin-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741344
5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43790093
5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43790096
5-[1-(2,5-dibromoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43736606
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 107354018
(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 54996085
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 107354221

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one (CID 107354209) is 5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one is CC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cc(Br)cs1.
What is the InChIKey of 5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KNKFTCDOKCVUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3OS/c1-6(12-2-7(14)5-20-12)16-9-4-11-10(3-8(9)15)17-13(19)18-11/h2-6,16H,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 417.13 g/mol, XLogP of 4.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 107354209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).