(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol

C16H21F2N3O2 — CID 95097021

IUPAC(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)Cn2cnc3cc(F)c(F)cc32)C[C@H](C)O1
InChIInChI=1S/C16H21F2N3O2/c1-10-5-20(6-11(2)23-10)7-12(22)8-21-9-19-15-3-13(17)14(18)4-16(15)21/h3-4,9-12,22H,5-8H2,1-2H3/t10-,11+,12-/m1/s1
InChIKeyULTFFBHOIQEYMN-GRYCIOLGSA-N
MW325.36 g/mol
LogP1.78
Rot. Bonds4

About (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol

(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol (PubChem CID 95097021) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
PubChem CID95097021
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC Name(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)Cn2cnc3cc(F)c(F)cc32)C[C@H](C)O1
InChIInChI=1S/C16H21F2N3O2/c1-10-5-20(6-11(2)23-10)7-12(22)8-21-9-19-15-3-13(17)14(18)4-16(15)21/h3-4,9-12,22H,5-8H2,1-2H3/t10-,11+,12-/m1/s1
InChIKeyULTFFBHOIQEYMN-GRYCIOLGSA-N
XLogP1.78
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol
CID 129402667
1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 110897311
3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
CID 95582439
1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol
CID 110884989
1-(4-bromo-2,6-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol chloride
CID 21237785
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726
(2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
CID 32550516
(2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 95350368
1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol
CID 56799360

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The IUPAC name of (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol (CID 95097021) is (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol is C[C@@H]1CN(C[C@@H](O)Cn2cnc3cc(F)c(F)cc32)C[C@H](C)O1.
What is the InChIKey of (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The InChIKey is ULTFFBHOIQEYMN-GRYCIOLGSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-10-5-20(6-11(2)23-10)7-12(22)8-21-9-19-15-3-13(17)14(18)4-16(15)21/h3-4,9-12,22H,5-8H2,1-2H3/t10-,11+,12-/m1/s1.
What are the key properties of (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol has a molecular weight of 325.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 95097021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).