1-(4-aminophenyl)benzimidazol-5-ol;ethane

C15H17N3O — CID 145364845

IUPAC1-(4-aminophenyl)benzimidazol-5-ol;ethane
SMILESCC.Nc1ccc(-n2cnc3cc(O)ccc32)cc1
InChIInChI=1S/C13H11N3O.C2H6/c14-9-1-3-10(4-2-9)16-8-15-12-7-11(17)5-6-13(12)16;1-2/h1-8,17H,14H2;1-2H3
InChIKeyKQZCOKIYWOKCRE-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.34
Rot. Bonds1

About 1-(4-aminophenyl)benzimidazol-5-ol;ethane

1-(4-aminophenyl)benzimidazol-5-ol;ethane (PubChem CID 145364845) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)benzimidazol-5-ol;ethane.

Molecular Properties

Compound Name1-(4-aminophenyl)benzimidazol-5-ol;ethane
PubChem CID145364845
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(4-aminophenyl)benzimidazol-5-ol;ethane
SMILESCC.Nc1ccc(-n2cnc3cc(O)ccc32)cc1
InChIInChI=1S/C13H11N3O.C2H6/c14-9-1-3-10(4-2-9)16-8-15-12-7-11(17)5-6-13(12)16;1-2/h1-8,17H,14H2;1-2H3
InChIKeyKQZCOKIYWOKCRE-UHFFFAOYSA-N
XLogP3.34
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-nitrobenzimidazol-1-yl)aniline
CID 827644
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
1-(3,5-dimethylphenyl)benzimidazol-5-amine
CID 62508491
4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
CID 130424385
4-(5-hexoxybenzimidazol-1-yl)aniline
CID 130424399
1-thiophen-3-ylbenzimidazol-5-amine
CID 66355194
1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine
CID 62507837
1-naphthalen-2-ylbenzimidazol-5-amine
CID 62507384
1-hydroxybenzimidazol-5-ol
CID 118518300
1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine
CID 107623243
4-[5-[3-(4-methylpiperazin-1-yl)propoxy]benzimidazol-1-yl]aniline
CID 130424581
2-amino-4-(benzimidazol-1-yl)phenol
CID 118185058

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)benzimidazol-5-ol;ethane?
The IUPAC name of 1-(4-aminophenyl)benzimidazol-5-ol;ethane (CID 145364845) is 1-(4-aminophenyl)benzimidazol-5-ol;ethane.
What is the SMILES notation for 1-(4-aminophenyl)benzimidazol-5-ol;ethane?
The canonical SMILES for 1-(4-aminophenyl)benzimidazol-5-ol;ethane is CC.Nc1ccc(-n2cnc3cc(O)ccc32)cc1.
What is the InChIKey of 1-(4-aminophenyl)benzimidazol-5-ol;ethane?
The InChIKey is KQZCOKIYWOKCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O.C2H6/c14-9-1-3-10(4-2-9)16-8-15-12-7-11(17)5-6-13(12)16;1-2/h1-8,17H,14H2;1-2H3.
What are the key properties of 1-(4-aminophenyl)benzimidazol-5-ol;ethane?
1-(4-aminophenyl)benzimidazol-5-ol;ethane has a molecular weight of 255.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)benzimidazol-5-ol;ethane is sourced from PubChem (CID 145364845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).