trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol

C13H13BrCl2N2O — CID 23383155

IUPACtrans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1n1c(Br)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C13H13BrCl2N2O/c14-13-17-9-5-7(15)8(16)6-11(9)18(13)10-3-1-2-4-12(10)19/h5-6,10,12,19H,1-4H2/t10-,12-/m1/s1
InChIKeyWKTYQVXOAVBLIO-ZYHUDNBSSA-N
MW364.07 g/mol
LogP4.58
Rot. Bonds1

About trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol (PubChem CID 23383155) has the molecular formula C13H13BrCl2N2O and a molecular weight of 364.07 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol
PubChem CID23383155
Molecular FormulaC13H13BrCl2N2O
Molecular Weight364.07 g/mol
Exact Mass361.96
IUPAC Nametrans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1n1c(Br)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C13H13BrCl2N2O/c14-13-17-9-5-7(15)8(16)6-11(9)18(13)10-3-1-2-4-12(10)19/h5-6,10,12,19H,1-4H2/t10-,12-/m1/s1
InChIKeyWKTYQVXOAVBLIO-ZYHUDNBSSA-N
XLogP4.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.07
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol (CID 23383155) is trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1n1c(Br)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is WKTYQVXOAVBLIO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H13BrCl2N2O/c14-13-17-9-5-7(15)8(16)6-11(9)18(13)10-3-1-2-4-12(10)19/h5-6,10,12,19H,1-4H2/t10-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 364.07 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 23383155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).