(1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine

C12H16BrN3 — CID 93307762

IUPAC(1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCC[C@@H](C)[C@H](N)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C12H16BrN3/c1-3-7(2)11(14)12-15-9-5-4-8(13)6-10(9)16-12/h4-7,11H,3,14H2,1-2H3,(H,15,16)/t7-,11+/m1/s1
InChIKeyPURFUQMZTZSMDZ-HQJQHLMTSA-N
MW282.19 g/mol
LogP3.37
Rot. Bonds3

About (1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine

(1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine (PubChem CID 93307762) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is (1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
PubChem CID93307762
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name(1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCC[C@@H](C)[C@H](N)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C12H16BrN3/c1-3-7(2)11(14)12-15-9-5-4-8(13)6-10(9)16-12/h4-7,11H,3,14H2,1-2H3,(H,15,16)/t7-,11+/m1/s1
InChIKeyPURFUQMZTZSMDZ-HQJQHLMTSA-N
XLogP3.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(1-chloroethyl)-1H-benzimidazole
CID 47003349
6-bromo-2-(1-chloroethyl)-1H-benzimidazole;hydrochloride
CID 47003348
1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylbutan-1-amine
CID 63268373
(2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol
CID 97035679
6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole
CID 83154051
1-(6-bromo-1H-benzimidazol-2-yl)pentane-1,5-diamine
CID 102547616
6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole
CID 166898533
6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole
CID 112603042
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
CID 123752331
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
CID 163787245
2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine
CID 79795530

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
The IUPAC name of (1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine (CID 93307762) is (1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for (1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for (1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine is CC[C@@H](C)[C@H](N)c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of (1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
The InChIKey is PURFUQMZTZSMDZ-HQJQHLMTSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-3-7(2)11(14)12-15-9-5-4-8(13)6-10(9)16-12/h4-7,11H,3,14H2,1-2H3,(H,15,16)/t7-,11+/m1/s1.
What are the key properties of (1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
(1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine has a molecular weight of 282.19 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 93307762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).