2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol

C15H13N3O3 — CID 82149303

IUPAC2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol
SMILESO=[N+]([O-])c1ccc(-c2nc3ccccc3n2CCO)cc1
InChIInChI=1S/C15H13N3O3/c19-10-9-17-14-4-2-1-3-13(14)16-15(17)11-5-7-12(8-6-11)18(20)21/h1-8,19H,9-10H2
InChIKeyXOSOHZKDUNHMCV-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.60
Rot. Bonds4

About 2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol

2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol (PubChem CID 82149303) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol
PubChem CID82149303
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol
SMILESO=[N+]([O-])c1ccc(-c2nc3ccccc3n2CCO)cc1
InChIInChI=1S/C15H13N3O3/c19-10-9-17-14-4-2-1-3-13(14)16-15(17)11-5-7-12(8-6-11)18(20)21/h1-8,19H,9-10H2
InChIKeyXOSOHZKDUNHMCV-UHFFFAOYSA-N
XLogP2.60
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
3-[2-(4-nitrophenyl)benzimidazol-1-yl]propanethioamide
CID 82149835
2-[2-(4-nitrophenyl)benzimidazol-1-yl]acetic acid
CID 82144952
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol
CID 94757522
2-[2-(4-nitrophenyl)benzimidazol-1-yl]butanamide
CID 123439643
3-(5-nitro-2-phenylbenzimidazol-1-yl)propanenitrile;3-(6-nitro-2-phenylbenzimidazol-1-yl)propanenitrile
CID 158928546
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
CID 50959699
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-methyl-2-(4-nitrophenyl)benzimidazole;2-(4-nitrophenyl)-1H-benzimidazole
CID 159281006
1-(2-methylpropyl)-2-(3-nitrophenyl)benzimidazole
CID 146024319
2-(4-nitrophenyl)-1-(2,4,6-trimethylphenyl)benzimidazole;4-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]aniline
CID 161244562

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol (CID 82149303) is 2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol is O=[N+]([O-])c1ccc(-c2nc3ccccc3n2CCO)cc1.
What is the InChIKey of 2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol?
The InChIKey is XOSOHZKDUNHMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-10-9-17-14-4-2-1-3-13(14)16-15(17)11-5-7-12(8-6-11)18(20)21/h1-8,19H,9-10H2.
What are the key properties of 2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol?
2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol has a molecular weight of 283.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitrophenyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82149303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).