2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol

C16H15ClFN3O — CID 154746527

IUPAC2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H15ClFN3O/c17-12-5-3-4-11(15(12)18)10-21-14-7-2-1-6-13(14)20-16(21)19-8-9-22/h1-7,22H,8-10H2,(H,19,20)
InChIKeyYAFVKVLPIQHZPW-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.28
Rot. Bonds5

About 2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol

2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol (PubChem CID 154746527) has the molecular formula C16H15ClFN3O and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
PubChem CID154746527
Molecular FormulaC16H15ClFN3O
Molecular Weight319.77 g/mol
Exact Mass319.09
IUPAC Name2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H15ClFN3O/c17-12-5-3-4-11(15(12)18)10-21-14-7-2-1-6-13(14)20-16(21)19-8-9-22/h1-7,22H,8-10H2,(H,19,20)
InChIKeyYAFVKVLPIQHZPW-UHFFFAOYSA-N
XLogP3.28
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51142216
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 51295210
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 17466994
2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 51110492
2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol
CID 166184268
(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol
CID 94379783
1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride
CID 146052223
2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol
CID 71895290
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol?
The IUPAC name of 2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol (CID 154746527) is 2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol is OCCNc1nc2ccccc2n1Cc1cccc(Cl)c1F.
What is the InChIKey of 2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol?
The InChIKey is YAFVKVLPIQHZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O/c17-12-5-3-4-11(15(12)18)10-21-14-7-2-1-6-13(14)20-16(21)19-8-9-22/h1-7,22H,8-10H2,(H,19,20).
What are the key properties of 2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol?
2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol has a molecular weight of 319.77 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol is sourced from PubChem (CID 154746527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).