2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol

C16H16FN3O — CID 136712554

IUPAC2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2cccc(N)c2O)nc2cc(F)ccc21
InChIInChI=1S/C16H16FN3O/c1-9(2)20-14-7-6-10(17)8-13(14)19-16(20)11-4-3-5-12(18)15(11)21/h3-9,21H,18H2,1-2H3
InChIKeyYHQZMRBVLOUUTP-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.71
Rot. Bonds2

About 2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol

2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol (PubChem CID 136712554) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
PubChem CID136712554
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2cccc(N)c2O)nc2cc(F)ccc21
InChIInChI=1S/C16H16FN3O/c1-9(2)20-14-7-6-10(17)8-13(14)19-16(20)11-4-3-5-12(18)15(11)21/h3-9,21H,18H2,1-2H3
InChIKeyYHQZMRBVLOUUTP-UHFFFAOYSA-N
XLogP3.71
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.71
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

2-amino-6-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712542
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091
[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60783324
5-chloro-2-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 62376051
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 54595254
2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
CID 82067863
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol (CID 136712554) is 2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol is CC(C)n1c(-c2cccc(N)c2O)nc2cc(F)ccc21.
What is the InChIKey of 2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The InChIKey is YHQZMRBVLOUUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-9(2)20-14-7-6-10(17)8-13(14)19-16(20)11-4-3-5-12(18)15(11)21/h3-9,21H,18H2,1-2H3.
What are the key properties of 2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol has a molecular weight of 285.32 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 136712554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).