3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline

C17H18FN3 — CID 115339584

IUPAC3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
SMILESCCn1c(CCc2cccc(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C17H18FN3/c1-2-21-16-8-7-13(18)11-15(16)20-17(21)9-6-12-4-3-5-14(19)10-12/h3-5,7-8,10-11H,2,6,9,19H2,1H3
InChIKeyOGLVYYGWHVKVQT-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.56
Rot. Bonds4

About 3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline

3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline (PubChem CID 115339584) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
PubChem CID115339584
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
SMILESCCn1c(CCc2cccc(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C17H18FN3/c1-2-21-16-8-7-13(18)11-15(16)20-17(21)9-6-12-4-3-5-14(19)10-12/h3-5,7-8,10-11H,2,6,9,19H2,1H3
InChIKeyOGLVYYGWHVKVQT-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
3-[(5-chloro-1-ethylbenzimidazol-2-yl)methyl]aniline
CID 65345508
3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline
CID 115339576
2-[(1-ethyl-5-fluorobenzimidazol-2-yl)methoxy]aniline
CID 63745345
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol
CID 110932087
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole
CID 62533609
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
CID 60784226
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79872626

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline?
The IUPAC name of 3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline (CID 115339584) is 3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline is CCn1c(CCc2cccc(N)c2)nc2cc(F)ccc21.
What is the InChIKey of 3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline?
The InChIKey is OGLVYYGWHVKVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-2-21-16-8-7-13(18)11-15(16)20-17(21)9-6-12-4-3-5-14(19)10-12/h3-5,7-8,10-11H,2,6,9,19H2,1H3.
What are the key properties of 3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline?
3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline has a molecular weight of 283.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 115339584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).