(2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol

C9H10BrN3S — CID 97035679

IUPAC(2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol
SMILESN[C@@H](CS)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C9H10BrN3S/c10-5-1-2-7-8(3-5)13-9(12-7)6(11)4-14/h1-3,6,14H,4,11H2,(H,12,13)/t6-/m0/s1
InChIKeyOZVHVCLGSKOWPE-LURJTMIESA-N
MW272.17 g/mol
LogP2.26
Rot. Bonds2

About (2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol

(2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol (PubChem CID 97035679) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is (2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol.

Molecular Properties

Compound Name(2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol
PubChem CID97035679
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name(2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol
SMILESN[C@@H](CS)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C9H10BrN3S/c10-5-1-2-7-8(3-5)13-9(12-7)6(11)4-14/h1-3,6,14H,4,11H2,(H,12,13)/t6-/m0/s1
InChIKeyOZVHVCLGSKOWPE-LURJTMIESA-N
XLogP2.26
TPSA54.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(6-bromo-1H-benzimidazol-2-yl)pentane-1,5-diamine
CID 102547616
(1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 93307762
6-bromo-2-(1-chloroethyl)-1H-benzimidazole
CID 47003349
6-bromo-2-(1-chloroethyl)-1H-benzimidazole;hydrochloride
CID 47003348
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
CID 163787245
6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole
CID 83154051
6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole
CID 166898533
(R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol
CID 125481020
(1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine
CID 86699046
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride
CID 154729465
(R)-(6-bromo-1H-benzimidazol-2-yl)-(3-chlorophenyl)methanol
CID 125480955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol?
The IUPAC name of (2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol (CID 97035679) is (2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol.
What is the SMILES notation for (2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol?
The canonical SMILES for (2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol is N[C@@H](CS)c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of (2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol?
The InChIKey is OZVHVCLGSKOWPE-LURJTMIESA-N. The full InChI is InChI=1S/C9H10BrN3S/c10-5-1-2-7-8(3-5)13-9(12-7)6(11)4-14/h1-3,6,14H,4,11H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol?
(2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol has a molecular weight of 272.17 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol is sourced from PubChem (CID 97035679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).