(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol

C14H18F2N2O2 — CID 129402667

IUPAC(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COC[C@@H](O)Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C14H18F2N2O2/c1-9(2)6-20-7-10(19)5-18-8-17-13-3-11(15)12(16)4-14(13)18/h3-4,8-10,19H,5-7H2,1-2H3/t10-/m0/s1
InChIKeyCSYNNOBRSUITAQ-JTQLQIEISA-N
MW284.31 g/mol
LogP2.35
Rot. Bonds6

About (2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol

(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol (PubChem CID 129402667) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol
PubChem CID129402667
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COC[C@@H](O)Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C14H18F2N2O2/c1-9(2)6-20-7-10(19)5-18-8-17-13-3-11(15)12(16)4-14(13)18/h3-4,8-10,19H,5-7H2,1-2H3/t10-/m0/s1
InChIKeyCSYNNOBRSUITAQ-JTQLQIEISA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
CID 32550516
1-[cyclopropyl(methyl)amino]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
CID 154735364
1-(5,6-dimethylbenzimidazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 18087060
1-(ethoxymethyl)-5,6-difluorobenzimidazole
CID 116620910
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 95097021
1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol
CID 110884989
3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide
CID 63577776
2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol
CID 110897794
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 52538537
1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 110897311
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 766433
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 25384233

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of (2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol (CID 129402667) is (2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol is CC(C)COC[C@@H](O)Cn1cnc2cc(F)c(F)cc21.
What is the InChIKey of (2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is CSYNNOBRSUITAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-9(2)6-20-7-10(19)5-18-8-17-13-3-11(15)12(16)4-14(13)18/h3-4,8-10,19H,5-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol?
(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 284.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 129402667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).