(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C19H19F2N3O — CID 52538537

IUPAC(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESO[C@H](CN1CCc2ccccc2C1)Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C19H19F2N3O/c20-16-7-18-19(8-17(16)21)24(12-22-18)11-15(25)10-23-6-5-13-3-1-2-4-14(13)9-23/h1-4,7-8,12,15,25H,5-6,9-11H2/t15-/m1/s1
InChIKeyDSRKNXNLXWHJDI-OAHLLOKOSA-N
MW343.38 g/mol
LogP2.73
Rot. Bonds4

About (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 52538537) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID52538537
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESO[C@H](CN1CCc2ccccc2C1)Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C19H19F2N3O/c20-16-7-18-19(8-17(16)21)24(12-22-18)11-15(25)10-23-6-5-13-3-1-2-4-14(13)9-23/h1-4,7-8,12,15,25H,5-6,9-11H2/t15-/m1/s1
InChIKeyDSRKNXNLXWHJDI-OAHLLOKOSA-N
XLogP2.73
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 95097021
3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one
CID 156756726
1-[cyclopropyl(methyl)amino]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
CID 154735364
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CID 109411205
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(methylamino)purin-7-yl]propan-2-ol
CID 95770668
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methylindol-1-yl)propan-2-ol
CID 177371282
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 94177110
1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol
CID 110884989
1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 110897311
(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol
CID 129402667
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(1-methylbenzimidazol-5-yl)oxyethylamino]propan-2-ol
CID 130451772
1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 52538537) is (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is O[C@H](CN1CCc2ccccc2C1)Cn1cnc2cc(F)c(F)cc21.
What is the InChIKey of (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is DSRKNXNLXWHJDI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19F2N3O/c20-16-7-18-19(8-17(16)21)24(12-22-18)11-15(25)10-23-6-5-13-3-1-2-4-14(13)9-23/h1-4,7-8,12,15,25H,5-6,9-11H2/t15-/m1/s1.
What are the key properties of (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 343.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 52538537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).