2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol

C15H15N3O — CID 81456673

IUPAC2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol
SMILESCc1cccc2nc(-c3ccc(N)c(O)c3)n(C)c12
InChIInChI=1S/C15H15N3O/c1-9-4-3-5-12-14(9)18(2)15(17-12)10-6-7-11(16)13(19)8-10/h3-8,19H,16H2,1-2H3
InChIKeyGPBUKHYTGQQHPG-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.84
Rot. Bonds1

About 2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol

2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol (PubChem CID 81456673) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol
PubChem CID81456673
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol
SMILESCc1cccc2nc(-c3ccc(N)c(O)c3)n(C)c12
InChIInChI=1S/C15H15N3O/c1-9-4-3-5-12-14(9)18(2)15(17-12)10-6-7-11(16)13(19)8-10/h3-8,19H,16H2,1-2H3
InChIKeyGPBUKHYTGQQHPG-UHFFFAOYSA-N
XLogP2.84
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol (CID 81456673) is 2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol is Cc1cccc2nc(-c3ccc(N)c(O)c3)n(C)c12.
What is the InChIKey of 2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol?
The InChIKey is GPBUKHYTGQQHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-4-3-5-12-14(9)18(2)15(17-12)10-6-7-11(16)13(19)8-10/h3-8,19H,16H2,1-2H3.
What are the key properties of 2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol?
2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol has a molecular weight of 253.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 81456673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).