2-(2-aminobenzimidazol-1-yl)-3-methylphenol

C14H13N3O — CID 164611587

IUPAC2-(2-aminobenzimidazol-1-yl)-3-methylphenol
SMILESCc1cccc(O)c1-n1c(N)nc2ccccc21
InChIInChI=1S/C14H13N3O/c1-9-5-4-8-12(18)13(9)17-11-7-3-2-6-10(11)16-14(17)15/h2-8,18H,1H3,(H2,15,16)
InChIKeyLTVGDDCKSUQCHT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.62
Rot. Bonds1

About 2-(2-aminobenzimidazol-1-yl)-3-methylphenol

2-(2-aminobenzimidazol-1-yl)-3-methylphenol (PubChem CID 164611587) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(2-aminobenzimidazol-1-yl)-3-methylphenol.

Molecular Properties

Compound Name2-(2-aminobenzimidazol-1-yl)-3-methylphenol
PubChem CID164611587
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(2-aminobenzimidazol-1-yl)-3-methylphenol
SMILESCc1cccc(O)c1-n1c(N)nc2ccccc21
InChIInChI=1S/C14H13N3O/c1-9-5-4-8-12(18)13(9)17-11-7-3-2-6-10(11)16-14(17)15/h2-8,18H,1H3,(H2,15,16)
InChIKeyLTVGDDCKSUQCHT-UHFFFAOYSA-N
XLogP2.62
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.62
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)-3-methylphenol?
The IUPAC name of 2-(2-aminobenzimidazol-1-yl)-3-methylphenol (CID 164611587) is 2-(2-aminobenzimidazol-1-yl)-3-methylphenol.
What is the SMILES notation for 2-(2-aminobenzimidazol-1-yl)-3-methylphenol?
The canonical SMILES for 2-(2-aminobenzimidazol-1-yl)-3-methylphenol is Cc1cccc(O)c1-n1c(N)nc2ccccc21.
What is the InChIKey of 2-(2-aminobenzimidazol-1-yl)-3-methylphenol?
The InChIKey is LTVGDDCKSUQCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-5-4-8-12(18)13(9)17-11-7-3-2-6-10(11)16-14(17)15/h2-8,18H,1H3,(H2,15,16).
What are the key properties of 2-(2-aminobenzimidazol-1-yl)-3-methylphenol?
2-(2-aminobenzimidazol-1-yl)-3-methylphenol has a molecular weight of 239.28 g/mol, XLogP of 2.62, 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)-3-methylphenol is sourced from PubChem (CID 164611587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).