2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol

C16H17N3O — CID 82068013

IUPAC2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
SMILESNc1cccc2c1nc(Cc1ccccc1)n2CCO
InChIInChI=1S/C16H17N3O/c17-13-7-4-8-14-16(13)18-15(19(14)9-10-20)11-12-5-2-1-3-6-12/h1-8,20H,9-11,17H2
InChIKeyUVRMUEDXUQYRTD-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.20
Rot. Bonds4

About 2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol

2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol (PubChem CID 82068013) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
PubChem CID82068013
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
SMILESNc1cccc2c1nc(Cc1ccccc1)n2CCO
InChIInChI=1S/C16H17N3O/c17-13-7-4-8-14-16(13)18-15(19(14)9-10-20)11-12-5-2-1-3-6-12/h1-8,20H,9-11,17H2
InChIKeyUVRMUEDXUQYRTD-UHFFFAOYSA-N
XLogP2.20
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.20
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

2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
CID 82067997
2-benzyl-1-propan-2-ylbenzimidazol-4-amine
CID 82068006
2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine
CID 82067691
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol
CID 82068272
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 82067826
2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine
CID 82068037
1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine
CID 82068309
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82068264
2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308123
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
CID 93215468
3-(4-amino-2-butylbenzimidazol-1-yl)propanoic acid
CID 82067392

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol (CID 82068013) is 2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol is Nc1cccc2c1nc(Cc1ccccc1)n2CCO.
What is the InChIKey of 2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol?
The InChIKey is UVRMUEDXUQYRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-13-7-4-8-14-16(13)18-15(19(14)9-10-20)11-12-5-2-1-3-6-12/h1-8,20H,9-11,17H2.
What are the key properties of 2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol?
2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol has a molecular weight of 267.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 82068013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).