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

C14H11F2N3O — CID 115911857

IUPAC2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
SMILESNc1ccccc1OCc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C14H11F2N3O/c15-8-5-6-10-14(13(8)16)19-12(18-10)7-20-11-4-2-1-3-9(11)17/h1-6H,7,17H2,(H,18,19)
InChIKeyQFIKQIBSBRJCAI-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.00
Rot. Bonds3

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

2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline (PubChem CID 115911857) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline.

Molecular Properties

Compound Name2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
PubChem CID115911857
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
SMILESNc1ccccc1OCc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C14H11F2N3O/c15-8-5-6-10-14(13(8)16)19-12(18-10)7-20-11-4-2-1-3-9(11)17/h1-6H,7,17H2,(H,18,19)
InChIKeyQFIKQIBSBRJCAI-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-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 115911848
2-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 107272709
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
CID 83857791
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
CID 112556656
2-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]aniline
CID 66487832
4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 115911909
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
CID 112556533
5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 112556455
2-(ethoxymethyl)-1H-benzimidazol-4-amine
CID 63691528

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline?
The IUPAC name of 2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline (CID 115911857) is 2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline.
What is the SMILES notation for 2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline?
The canonical SMILES for 2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline is Nc1ccccc1OCc1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of 2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline?
The InChIKey is QFIKQIBSBRJCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c15-8-5-6-10-14(13(8)16)19-12(18-10)7-20-11-4-2-1-3-9(11)17/h1-6H,7,17H2,(H,18,19).
What are the key properties of 2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline?
2-[(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 2-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline is sourced from PubChem (CID 115911857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).