2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol

C14H12FN3O — CID 136872083

IUPAC2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
SMILESCn1c(-c2ccc(O)c(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C14H12FN3O/c1-18-12-4-3-9(15)7-11(12)17-14(18)8-2-5-13(19)10(16)6-8/h2-7,19H,16H2,1H3
InChIKeyDFBLAKNYYVWGPN-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.67
Rot. Bonds1

About 2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol

2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol (PubChem CID 136872083) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
PubChem CID136872083
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
SMILESCn1c(-c2ccc(O)c(N)c2)nc2cc(F)ccc21
InChIInChI=1S/C14H12FN3O/c1-18-12-4-3-9(15)7-11(12)17-14(18)8-2-5-13(19)10(16)6-8/h2-7,19H,16H2,1H3
InChIKeyDFBLAKNYYVWGPN-UHFFFAOYSA-N
XLogP2.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.67
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-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872115
5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol
CID 63850836
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
2-amino-5-(1-methylbenzimidazol-2-yl)phenol
CID 60835038
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 82332135
2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
CID 119891017
(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide
CID 119891049
2-amino-4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872096
2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091
2-chloro-2-fluoro-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]acetamide
CID 166427691
2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde
CID 4915333

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol (CID 136872083) is 2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol is Cn1c(-c2ccc(O)c(N)c2)nc2cc(F)ccc21.
What is the InChIKey of 2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol?
The InChIKey is DFBLAKNYYVWGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-18-12-4-3-9(15)7-11(12)17-14(18)8-2-5-13(19)10(16)6-8/h2-7,19H,16H2,1H3.
What are the key properties of 2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol?
2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol has a molecular weight of 257.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 136872083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).