2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline

C10H10BrN3S — CID 107779694

IUPAC2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline
SMILESNc1cc(CSc2ncc[nH]2)ccc1Br
InChIInChI=1S/C10H10BrN3S/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10/h1-5H,6,12H2,(H,13,14)
InChIKeyHSUMDPRBLPWRGG-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.05
Rot. Bonds3

About 2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline

2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline (PubChem CID 107779694) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline
PubChem CID107779694
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline
SMILESNc1cc(CSc2ncc[nH]2)ccc1Br
InChIInChI=1S/C10H10BrN3S/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10/h1-5H,6,12H2,(H,13,14)
InChIKeyHSUMDPRBLPWRGG-UHFFFAOYSA-N
XLogP3.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[(3-amino-4-bromophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136999058
2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole
CID 140963022
N'-hydroxy-4-(1H-imidazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107780293
2-bromo-5-[(4-methylphenyl)sulfanylmethyl]aniline
CID 115558316
2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 130608073
2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane
CID 58868338
3-[(3-amino-4-bromophenyl)methylsulfanyl]propane-1,2-diol
CID 115558397
2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine
CID 122142925
2-bromo-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)aniline
CID 115558374
3-[(3-amino-4-bromophenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 115558378
4-bromo-5-fluoro-2-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779438
2-bromo-5-ethylaniline;hydrochloride
CID 126796901

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline?
The IUPAC name of 2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline (CID 107779694) is 2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline.
What is the SMILES notation for 2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline?
The canonical SMILES for 2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline is Nc1cc(CSc2ncc[nH]2)ccc1Br.
What is the InChIKey of 2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline?
The InChIKey is HSUMDPRBLPWRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10/h1-5H,6,12H2,(H,13,14).
What are the key properties of 2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline?
2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline has a molecular weight of 284.18 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline is sourced from PubChem (CID 107779694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).