2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol

C16H17N3O — CID 82067826

IUPAC2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
SMILESCc1cccc(-c2nc3c(N)cccc3n2CCO)c1
InChIInChI=1S/C16H17N3O/c1-11-4-2-5-12(10-11)16-18-15-13(17)6-3-7-14(15)19(16)8-9-20/h2-7,10,20H,8-9,17H2,1H3
InChIKeyFXTSVWXHUIBGHD-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.59
Rot. Bonds3

About 2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol

2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol (PubChem CID 82067826) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
PubChem CID82067826
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
SMILESCc1cccc(-c2nc3c(N)cccc3n2CCO)c1
InChIInChI=1S/C16H17N3O/c1-11-4-2-5-12(10-11)16-18-15-13(17)6-3-7-14(15)19(16)8-9-20/h2-7,10,20H,8-9,17H2,1H3
InChIKeyFXTSVWXHUIBGHD-UHFFFAOYSA-N
XLogP2.59
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.59
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 2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol (CID 82067826) is 2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol is Cc1cccc(-c2nc3c(N)cccc3n2CCO)c1.
What is the InChIKey of 2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol?
The InChIKey is FXTSVWXHUIBGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-4-2-5-12(10-11)16-18-15-13(17)6-3-7-14(15)19(16)8-9-20/h2-7,10,20H,8-9,17H2,1H3.
What are the key properties of 2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol?
2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol has a molecular weight of 267.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82067826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).