4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline

C15H15N3O — CID 91426634

IUPAC4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline
SMILESCCc1ccc2nc(-c3ccc(N)cc3)n(O)c2c1
InChIInChI=1S/C15H15N3O/c1-2-10-3-8-13-14(9-10)18(19)15(17-13)11-4-6-12(16)7-5-11/h3-9,19H,2,16H2,1H3
InChIKeyWESFNBHVXGOFHJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.09
Rot. Bonds2

About 4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline

4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline (PubChem CID 91426634) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline
PubChem CID91426634
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline
SMILESCCc1ccc2nc(-c3ccc(N)cc3)n(O)c2c1
InChIInChI=1S/C15H15N3O/c1-2-10-3-8-13-14(9-10)18(19)15(17-13)11-4-6-12(16)7-5-11/h3-9,19H,2,16H2,1H3
InChIKeyWESFNBHVXGOFHJ-UHFFFAOYSA-N
XLogP3.09
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline?
The IUPAC name of 4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline (CID 91426634) is 4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline.
What is the SMILES notation for 4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline?
The canonical SMILES for 4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline is CCc1ccc2nc(-c3ccc(N)cc3)n(O)c2c1.
What is the InChIKey of 4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline?
The InChIKey is WESFNBHVXGOFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-10-3-8-13-14(9-10)18(19)15(17-13)11-4-6-12(16)7-5-11/h3-9,19H,2,16H2,1H3.
What are the key properties of 4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline?
4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline has a molecular weight of 253.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline is sourced from PubChem (CID 91426634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).