2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol

C15H15N3O — CID 163323832

IUPAC2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol
SMILESCc1cc(O)c(-n2c(N)nc3ccccc32)cc1C
InChIInChI=1S/C15H15N3O/c1-9-7-13(14(19)8-10(9)2)18-12-6-4-3-5-11(12)17-15(18)16/h3-8,19H,1-2H3,(H2,16,17)
InChIKeyYXACSFRLENZATN-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.93
Rot. Bonds1

About 2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol

2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol (PubChem CID 163323832) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol.

Molecular Properties

Compound Name2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol
PubChem CID163323832
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol
SMILESCc1cc(O)c(-n2c(N)nc3ccccc32)cc1C
InChIInChI=1S/C15H15N3O/c1-9-7-13(14(19)8-10(9)2)18-12-6-4-3-5-11(12)17-15(18)16/h3-8,19H,1-2H3,(H2,16,17)
InChIKeyYXACSFRLENZATN-UHFFFAOYSA-N
XLogP2.93
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol?
The IUPAC name of 2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol (CID 163323832) is 2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol.
What is the SMILES notation for 2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol?
The canonical SMILES for 2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol is Cc1cc(O)c(-n2c(N)nc3ccccc32)cc1C.
What is the InChIKey of 2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol?
The InChIKey is YXACSFRLENZATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-7-13(14(19)8-10(9)2)18-12-6-4-3-5-11(12)17-15(18)16/h3-8,19H,1-2H3,(H2,16,17).
What are the key properties of 2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol?
2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol has a molecular weight of 253.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzimidazol-1-yl)-4,5-dimethylphenol is sourced from PubChem (CID 163323832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).