2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol

C13H10FN3O — CID 81432663

IUPAC2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
SMILESNc1cc(-c2nc3ccc(O)cc3[nH]2)ccc1F
InChIInChI=1S/C13H10FN3O/c14-9-3-1-7(5-10(9)15)13-16-11-4-2-8(18)6-12(11)17-13/h1-6,18H,15H2,(H,16,17)
InChIKeyRKLOSXSCDMPFTQ-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.66
Rot. Bonds1

About 2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol

2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol (PubChem CID 81432663) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
PubChem CID81432663
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
SMILESNc1cc(-c2nc3ccc(O)cc3[nH]2)ccc1F
InChIInChI=1S/C13H10FN3O/c14-9-3-1-7(5-10(9)15)13-16-11-4-2-8(18)6-12(11)17-13/h1-6,18H,15H2,(H,16,17)
InChIKeyRKLOSXSCDMPFTQ-UHFFFAOYSA-N
XLogP2.66
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol
CID 81432559
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol
CID 82815117
2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 54924199
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 54919597

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol (CID 81432663) is 2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol is Nc1cc(-c2nc3ccc(O)cc3[nH]2)ccc1F.
What is the InChIKey of 2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol?
The InChIKey is RKLOSXSCDMPFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-9-3-1-7(5-10(9)15)13-16-11-4-2-8(18)6-12(11)17-13/h1-6,18H,15H2,(H,16,17).
What are the key properties of 2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol?
2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol has a molecular weight of 243.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).