1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol

C17H19N3O — CID 62596546

IUPAC1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol
SMILESCc1cc(C)cc(-n2c(C(C)O)nc3cc(N)ccc32)c1
InChIInChI=1S/C17H19N3O/c1-10-6-11(2)8-14(7-10)20-16-5-4-13(18)9-15(16)19-17(20)12(3)21/h4-9,12,21H,18H2,1-3H3
InChIKeyBXPABSAVYSLJSG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.28
Rot. Bonds2

About 1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol

1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol (PubChem CID 62596546) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol
PubChem CID62596546
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol
SMILESCc1cc(C)cc(-n2c(C(C)O)nc3cc(N)ccc32)c1
InChIInChI=1S/C17H19N3O/c1-10-6-11(2)8-14(7-10)20-16-5-4-13(18)9-15(16)19-17(20)12(3)21/h4-9,12,21H,18H2,1-3H3
InChIKeyBXPABSAVYSLJSG-UHFFFAOYSA-N
XLogP3.28
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.28
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-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol (CID 62596546) is 1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol is Cc1cc(C)cc(-n2c(C(C)O)nc3cc(N)ccc32)c1.
What is the InChIKey of 1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol?
The InChIKey is BXPABSAVYSLJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-6-11(2)8-14(7-10)20-16-5-4-13(18)9-15(16)19-17(20)12(3)21/h4-9,12,21H,18H2,1-3H3.
What are the key properties of 1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol?
1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol has a molecular weight of 281.36 g/mol, XLogP of 3.28, 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-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 62596546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).