(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol

C17H17F2N3O2 — CID 94379783

IUPAC(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol
SMILESOCCNc1nc2ccccc2n1C[C@H](O)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O2/c18-11-5-6-12(13(19)9-11)16(24)10-22-15-4-2-1-3-14(15)21-17(22)20-7-8-23/h1-6,9,16,23-24H,7-8,10H2,(H,20,21)/t16-/m0/s1
InChIKeyRSGWKEKKNBYIDM-INIZCTEOSA-N
MW333.34 g/mol
LogP2.45
Rot. Bonds6

About (1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol

(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol (PubChem CID 94379783) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is (1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol
PubChem CID94379783
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol
SMILESOCCNc1nc2ccccc2n1C[C@H](O)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O2/c18-11-5-6-12(13(19)9-11)16(24)10-22-15-4-2-1-3-14(15)21-17(22)20-7-8-23/h1-6,9,16,23-24H,7-8,10H2,(H,20,21)/t16-/m0/s1
InChIKeyRSGWKEKKNBYIDM-INIZCTEOSA-N
XLogP2.45
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol?
The IUPAC name of (1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol (CID 94379783) is (1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol is OCCNc1nc2ccccc2n1C[C@H](O)c1ccc(F)cc1F.
What is the InChIKey of (1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol?
The InChIKey is RSGWKEKKNBYIDM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c18-11-5-6-12(13(19)9-11)16(24)10-22-15-4-2-1-3-14(15)21-17(22)20-7-8-23/h1-6,9,16,23-24H,7-8,10H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol?
(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol has a molecular weight of 333.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 94379783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).