2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol

C15H16N4O — CID 1160409

IUPAC2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol
SMILESNc1ccc(-c2nc3cc(N)ccc3n2CCO)cc1
InChIInChI=1S/C15H16N4O/c16-11-3-1-10(2-4-11)15-18-13-9-12(17)5-6-14(13)19(15)7-8-20/h1-6,9,20H,7-8,16-17H2
InChIKeyDFMOWNVDYYEOBW-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.86
Rot. Bonds3

About 2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol

2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol (PubChem CID 1160409) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol
PubChem CID1160409
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol
SMILESNc1ccc(-c2nc3cc(N)ccc3n2CCO)cc1
InChIInChI=1S/C15H16N4O/c16-11-3-1-10(2-4-11)15-18-13-9-12(17)5-6-14(13)19(15)7-8-20/h1-6,9,20H,7-8,16-17H2
InChIKeyDFMOWNVDYYEOBW-UHFFFAOYSA-N
XLogP1.86
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol (CID 1160409) is 2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol is Nc1ccc(-c2nc3cc(N)ccc3n2CCO)cc1.
What is the InChIKey of 2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol?
The InChIKey is DFMOWNVDYYEOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-11-3-1-10(2-4-11)15-18-13-9-12(17)5-6-14(13)19(15)7-8-20/h1-6,9,20H,7-8,16-17H2.
What are the key properties of 2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol?
2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol has a molecular weight of 268.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(4-aminophenyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 1160409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).