1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol

C15H14ClN3O — CID 62596168

IUPAC1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1-c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O/c1-9(20)15-18-12-8-10(17)6-7-14(12)19(15)13-5-3-2-4-11(13)16/h2-9,20H,17H2,1H3
InChIKeyAEMUOLIJEMAMIS-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.31
Rot. Bonds2

About 1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol

1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol (PubChem CID 62596168) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol
PubChem CID62596168
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1-c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O/c1-9(20)15-18-12-8-10(17)6-7-14(12)19(15)13-5-3-2-4-11(13)16/h2-9,20H,17H2,1H3
InChIKeyAEMUOLIJEMAMIS-UHFFFAOYSA-N
XLogP3.31
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.31
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 1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol (CID 62596168) is 1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol is CC(O)c1nc2cc(N)ccc2n1-c1ccccc1Cl.
What is the InChIKey of 1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol?
The InChIKey is AEMUOLIJEMAMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-9(20)15-18-12-8-10(17)6-7-14(12)19(15)13-5-3-2-4-11(13)16/h2-9,20H,17H2,1H3.
What are the key properties of 1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol?
1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol has a molecular weight of 287.75 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 62596168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).