(2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol

C12H15BrN2O — CID 151353304

IUPAC(2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol
SMILESCc1nc2ccc(Br)cc2n1C[C@H](C)CO
InChIInChI=1S/C12H15BrN2O/c1-8(7-16)6-15-9(2)14-11-4-3-10(13)5-12(11)15/h3-5,8,16H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyOMYAIKUUDIUYJA-QMMMGPOBSA-N
MW283.17 g/mol
LogP2.74
Rot. Bonds3

About (2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol

(2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol (PubChem CID 151353304) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is (2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol
PubChem CID151353304
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name(2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol
SMILESCc1nc2ccc(Br)cc2n1C[C@H](C)CO
InChIInChI=1S/C12H15BrN2O/c1-8(7-16)6-15-9(2)14-11-4-3-10(13)5-12(11)15/h3-5,8,16H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyOMYAIKUUDIUYJA-QMMMGPOBSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol (CID 151353304) is (2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol is Cc1nc2ccc(Br)cc2n1C[C@H](C)CO.
What is the InChIKey of (2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol?
The InChIKey is OMYAIKUUDIUYJA-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8(7-16)6-15-9(2)14-11-4-3-10(13)5-12(11)15/h3-5,8,16H,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol?
(2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol has a molecular weight of 283.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(6-bromo-2-methylbenzimidazol-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 151353304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).