2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol

C15H14FN3O — CID 60835711

IUPAC2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
SMILESCCn1c(-c2ccc(N)c(O)c2)nc2c(F)cccc21
InChIInChI=1S/C15H14FN3O/c1-2-19-12-5-3-4-10(16)14(12)18-15(19)9-6-7-11(17)13(20)8-9/h3-8,20H,2,17H2,1H3
InChIKeyVBTJEXOCCINCEU-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.15
Rot. Bonds2

About 2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol

2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol (PubChem CID 60835711) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
PubChem CID60835711
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
SMILESCCn1c(-c2ccc(N)c(O)c2)nc2c(F)cccc21
InChIInChI=1S/C15H14FN3O/c1-2-19-12-5-3-4-10(16)14(12)18-15(19)9-6-7-11(17)13(20)8-9/h3-8,20H,2,17H2,1H3
InChIKeyVBTJEXOCCINCEU-UHFFFAOYSA-N
XLogP3.15
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 60835551
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
5-(1-ethyl-4-fluorobenzimidazol-2-yl)pyridin-2-amine
CID 63262168
2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
CID 82067963
4-(1-ethylbenzimidazol-2-yl)-2-fluoroaniline
CID 63187870
5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol
CID 60784309
2-amino-1-ethylbenzimidazol-4-ol
CID 84767336
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline
CID 63745698
1-ethyl-4-fluorobenzimidazole-2-carboxylic acid
CID 124927269
2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
CID 82068333

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol (CID 60835711) is 2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol is CCn1c(-c2ccc(N)c(O)c2)nc2c(F)cccc21.
What is the InChIKey of 2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol?
The InChIKey is VBTJEXOCCINCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-2-19-12-5-3-4-10(16)14(12)18-15(19)9-6-7-11(17)13(20)8-9/h3-8,20H,2,17H2,1H3.
What are the key properties of 2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol?
2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol has a molecular weight of 271.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol is sourced from PubChem (CID 60835711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).