5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one

C13H12BrN3OS — CID 43741369

IUPAC5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cccs1
InChIInChI=1S/C13H12BrN3OS/c1-7(12-3-2-4-19-12)15-9-6-11-10(5-8(9)14)16-13(18)17-11/h2-7,15H,1H3,(H2,16,17,18)
InChIKeySKZXKFFVIIZGCA-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.85
Rot. Bonds3

About 5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43741369) has the molecular formula C13H12BrN3OS and a molecular weight of 338.23 g/mol. Its IUPAC name is 5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID43741369
Molecular FormulaC13H12BrN3OS
Molecular Weight338.23 g/mol
Exact Mass336.99
IUPAC Name5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cccs1
InChIInChI=1S/C13H12BrN3OS/c1-7(12-3-2-4-19-12)15-9-6-11-10(5-8(9)14)16-13(18)17-11/h2-7,15H,1H3,(H2,16,17,18)
InChIKeySKZXKFFVIIZGCA-UHFFFAOYSA-N
XLogP3.85
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-[1-(4-bromothiophen-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 107354209
5-bromo-6-(3-methylbutan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741366
5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62381378
3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43745716
5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 103388874
2-oxo-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8798860
5-bromo-4-(1-thiophen-2-ylethylamino)-1H-pyridazin-6-one
CID 115576984
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43790093
4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
CID 81292571
3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798
4-bromo-5-fluoro-2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 116735510

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one (CID 43741369) is 5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one is CC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cccs1.
What is the InChIKey of 5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SKZXKFFVIIZGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3OS/c1-7(12-3-2-4-19-12)15-9-6-11-10(5-8(9)14)16-13(18)17-11/h2-7,15H,1H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(1-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 338.23 g/mol, XLogP of 3.85, 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-thiophen-2-ylethylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43741369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).