3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol

C17H15F3N2O — CID 94756244

IUPAC3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(Cc2ccc(F)cc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C17H15F3N2O/c18-12-4-2-11(3-5-12)8-17-21-15-9-13(19)14(20)10-16(15)22(17)6-1-7-23/h2-5,9-10,23H,1,6-8H2
InChIKeyYXESQCKIAWVVQH-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.43
Rot. Bonds5

About 3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol

3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol (PubChem CID 94756244) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol
PubChem CID94756244
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(Cc2ccc(F)cc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C17H15F3N2O/c18-12-4-2-11(3-5-12)8-17-21-15-9-13(19)14(20)10-16(15)22(17)6-1-7-23/h2-5,9-10,23H,1,6-8H2
InChIKeyYXESQCKIAWVVQH-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol
CID 82149646
3-(2-benzyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
CID 82146243
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
3-[5,6-difluoro-2-(4-hydroxybutyl)benzimidazol-1-yl]propanoic acid
CID 79193832
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 94755704
3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117165366
2-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 10644374
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
CID 177375660
[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol
CID 90307140
3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308504
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503

Frequently Asked Questions

What is the IUPAC name of 3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol (CID 94756244) is 3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol is OCCCn1c(Cc2ccc(F)cc2)nc2cc(F)c(F)cc21.
What is the InChIKey of 3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol?
The InChIKey is YXESQCKIAWVVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-12-4-2-11(3-5-12)8-17-21-15-9-13(19)14(20)10-16(15)22(17)6-1-7-23/h2-5,9-10,23H,1,6-8H2.
What are the key properties of 3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol?
3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol has a molecular weight of 320.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 94756244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).