2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline

C16H16FN3O — CID 63745698

IUPAC2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline
SMILESCCn1c(COc2ccccc2N)nc2c(F)cccc21
InChIInChI=1S/C16H16FN3O/c1-2-20-13-8-5-6-11(17)16(13)19-15(20)10-21-14-9-4-3-7-12(14)18/h3-9H,2,10,18H2,1H3
InChIKeyBILAOSBWGLVZCP-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.36
Rot. Bonds4

About 2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline

2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline (PubChem CID 63745698) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline.

Molecular Properties

Compound Name2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline
PubChem CID63745698
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline
SMILESCCn1c(COc2ccccc2N)nc2c(F)cccc21
InChIInChI=1S/C16H16FN3O/c1-2-20-13-8-5-6-11(17)16(13)19-15(20)10-21-14-9-4-3-7-12(14)18/h3-9H,2,10,18H2,1H3
InChIKeyBILAOSBWGLVZCP-UHFFFAOYSA-N
XLogP3.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline?
The IUPAC name of 2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline (CID 63745698) is 2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline.
What is the SMILES notation for 2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline?
The canonical SMILES for 2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline is CCn1c(COc2ccccc2N)nc2c(F)cccc21.
What is the InChIKey of 2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline?
The InChIKey is BILAOSBWGLVZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-20-13-8-5-6-11(17)16(13)19-15(20)10-21-14-9-4-3-7-12(14)18/h3-9H,2,10,18H2,1H3.
What are the key properties of 2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline?
2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline has a molecular weight of 285.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline is sourced from PubChem (CID 63745698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).