3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline

C14H11F2N3O — CID 115911848

IUPAC3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
SMILESNc1cccc(OCc2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C14H11F2N3O/c15-10-4-5-11-14(13(10)16)19-12(18-11)7-20-9-3-1-2-8(17)6-9/h1-6H,7,17H2,(H,18,19)
InChIKeyFINMYCXDLATLCX-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.00
Rot. Bonds3

About 3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline

3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline (PubChem CID 115911848) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
PubChem CID115911848
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
SMILESNc1cccc(OCc2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C14H11F2N3O/c15-10-4-5-11-14(13(10)16)19-12(18-11)7-20-9-3-1-2-8(17)6-9/h1-6H,7,17H2,(H,18,19)
InChIKeyFINMYCXDLATLCX-UHFFFAOYSA-N
XLogP3.00
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(5,6-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747407
2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 115911857
4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 115911909
3-[(6-bromo-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747420
4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 115911975
[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721339
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
CID 83857791
1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
CID 112556533
2-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 107272709
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole
CID 82004585
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline?
The IUPAC name of 3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline (CID 115911848) is 3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline.
What is the SMILES notation for 3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline?
The canonical SMILES for 3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline is Nc1cccc(OCc2nc3c(F)c(F)ccc3[nH]2)c1.
What is the InChIKey of 3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline?
The InChIKey is FINMYCXDLATLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c15-10-4-5-11-14(13(10)16)19-12(18-11)7-20-9-3-1-2-8(17)6-9/h1-6H,7,17H2,(H,18,19).
What are the key properties of 3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline?
3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline has a molecular weight of 275.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline is sourced from PubChem (CID 115911848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).