(2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol

C23H18F4N2O2 — CID 32550516

IUPAC(2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
SMILESO[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C23H18F4N2O2/c24-16-5-1-14(2-6-16)23(15-3-7-17(25)8-4-15)31-12-18(30)11-29-13-28-21-9-19(26)20(27)10-22(21)29/h1-10,13,18,23,30H,11-12H2/t18-/m1/s1
InChIKeyNVXFZUQCZKHRRF-GOSISDBHSA-N
MW430.40 g/mol
LogP4.76
Rot. Bonds7

About (2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol

(2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol (PubChem CID 32550516) has the molecular formula C23H18F4N2O2 and a molecular weight of 430.40 g/mol. Its IUPAC name is (2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
PubChem CID32550516
Molecular FormulaC23H18F4N2O2
Molecular Weight430.40 g/mol
Exact Mass430.13
IUPAC Name(2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
SMILESO[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C23H18F4N2O2/c24-16-5-1-14(2-6-16)23(15-3-7-17(25)8-4-15)31-12-18(30)11-29-13-28-21-9-19(26)20(27)10-22(21)29/h1-10,13,18,23,30H,11-12H2/t18-/m1/s1
InChIKeyNVXFZUQCZKHRRF-GOSISDBHSA-N
XLogP4.76
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol
CID 129402667
1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol
CID 110884989
7-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 134024214
1-[cyclopropyl(methyl)amino]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
CID 154735364
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 52538537
(2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 51545092
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 95097021
1-(5,6-dimethylbenzimidazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 18087060
2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol
CID 110897794
3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6,7-difluoroquinazolin-4-one
CID 111336462
1-(ethoxymethyl)-5,6-difluorobenzimidazole
CID 116620910
7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol (CID 32550516) is (2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol is O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cnc2cc(F)c(F)cc21.
What is the InChIKey of (2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol?
The InChIKey is NVXFZUQCZKHRRF-GOSISDBHSA-N. The full InChI is InChI=1S/C23H18F4N2O2/c24-16-5-1-14(2-6-16)23(15-3-7-17(25)8-4-15)31-12-18(30)11-29-13-28-21-9-19(26)20(27)10-22(21)29/h1-10,13,18,23,30H,11-12H2/t18-/m1/s1.
What are the key properties of (2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol?
(2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol has a molecular weight of 430.40 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 32550516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).