[5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol

C15H13F2N3O — CID 103587462

IUPAC[5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol
SMILESCc1cc(F)c(-n2c(CO)nc3cc(N)ccc32)cc1F
InChIInChI=1S/C15H13F2N3O/c1-8-4-11(17)14(6-10(8)16)20-13-3-2-9(18)5-12(13)19-15(20)7-21/h2-6,21H,7,18H2,1H3
InChIKeyWLIMAAAFGYKHLO-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.69
Rot. Bonds2

About [5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol

[5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol (PubChem CID 103587462) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is [5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol
PubChem CID103587462
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name[5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol
SMILESCc1cc(F)c(-n2c(CO)nc3cc(N)ccc32)cc1F
InChIInChI=1S/C15H13F2N3O/c1-8-4-11(17)14(6-10(8)16)20-13-3-2-9(18)5-12(13)19-15(20)7-21/h2-6,21H,7,18H2,1H3
InChIKeyWLIMAAAFGYKHLO-UHFFFAOYSA-N
XLogP2.69
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-amino-1-(2,5-dichlorophenyl)benzimidazol-2-yl]methanol
CID 62594709
[5-amino-1-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-yl]methanol
CID 65499669
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
[5-amino-1-(4-bromo-2-ethylphenyl)benzimidazol-2-yl]methanol
CID 81289490
[5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol
CID 62595630
1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine
CID 103586598
1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
CID 82803563
[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol
CID 62594707
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
[5-amino-1-(dimethylamino)benzimidazol-2-yl]methanol
CID 83024491
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol (CID 103587462) is [5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol is Cc1cc(F)c(-n2c(CO)nc3cc(N)ccc32)cc1F.
What is the InChIKey of [5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol?
The InChIKey is WLIMAAAFGYKHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-8-4-11(17)14(6-10(8)16)20-13-3-2-9(18)5-12(13)19-15(20)7-21/h2-6,21H,7,18H2,1H3.
What are the key properties of [5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol?
[5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol has a molecular weight of 289.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 103587462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).