[5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol

C15H14FN3O — CID 62594326

IUPAC[5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol
SMILESNc1ccc2c(c1)nc(CO)n2Cc1cccc(F)c1
InChIInChI=1S/C15H14FN3O/c16-11-3-1-2-10(6-11)8-19-14-5-4-12(17)7-13(14)18-15(19)9-20/h1-7,20H,8-9,17H2
InChIKeyMEERAPYEUQFGMR-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.30
Rot. Bonds3

About [5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol

[5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol (PubChem CID 62594326) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is [5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol
PubChem CID62594326
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name[5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol
SMILESNc1ccc2c(c1)nc(CO)n2Cc1cccc(F)c1
InChIInChI=1S/C15H14FN3O/c16-11-3-1-2-10(6-11)8-19-14-5-4-12(17)7-13(14)18-15(19)9-20/h1-7,20H,8-9,17H2
InChIKeyMEERAPYEUQFGMR-UHFFFAOYSA-N
XLogP2.30
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol (CID 62594326) is [5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol is Nc1ccc2c(c1)nc(CO)n2Cc1cccc(F)c1.
What is the InChIKey of [5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol?
The InChIKey is MEERAPYEUQFGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-11-3-1-2-10(6-11)8-19-14-5-4-12(17)7-13(14)18-15(19)9-20/h1-7,20H,8-9,17H2.
What are the key properties of [5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol?
[5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol has a molecular weight of 271.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 62594326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).