3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline

C17H17F2N3O — CID 94757335

IUPAC3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline
SMILESCCc1nc2cc(F)c(F)cc2n1CCOc1cccc(N)c1
InChIInChI=1S/C17H17F2N3O/c1-2-17-21-15-9-13(18)14(19)10-16(15)22(17)6-7-23-12-5-3-4-11(20)8-12/h3-5,8-10H,2,6-7,20H2,1H3
InChIKeyGYRFAVIISLDKCE-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.54
Rot. Bonds5

About 3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline

3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline (PubChem CID 94757335) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline
PubChem CID94757335
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline
SMILESCCc1nc2cc(F)c(F)cc2n1CCOc1cccc(N)c1
InChIInChI=1S/C17H17F2N3O/c1-2-17-21-15-9-13(18)14(19)10-16(15)22(17)6-7-23-12-5-3-4-11(20)8-12/h3-5,8-10H,2,6-7,20H2,1H3
InChIKeyGYRFAVIISLDKCE-UHFFFAOYSA-N
XLogP3.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]aniline
CID 82150376
3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline
CID 82150383
3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline
CID 82097911
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
CID 82097902
3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]aniline
CID 94757330
3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
CID 82146074
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846
3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide
CID 83967829
3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
CID 62677754

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline (CID 94757335) is 3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline is CCc1nc2cc(F)c(F)cc2n1CCOc1cccc(N)c1.
What is the InChIKey of 3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline?
The InChIKey is GYRFAVIISLDKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-2-17-21-15-9-13(18)14(19)10-16(15)22(17)6-7-23-12-5-3-4-11(20)8-12/h3-5,8-10H,2,6-7,20H2,1H3.
What are the key properties of 3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline?
3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline has a molecular weight of 317.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline is sourced from PubChem (CID 94757335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).