2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol

C15H15N3O — CID 81432836

IUPAC2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol
SMILESCc1cc(C)c(N)c(-c2nc3ccc(O)cc3[nH]2)c1
InChIInChI=1S/C15H15N3O/c1-8-5-9(2)14(16)11(6-8)15-17-12-4-3-10(19)7-13(12)18-15/h3-7,19H,16H2,1-2H3,(H,17,18)
InChIKeySSDUGGORHLCYRR-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.13
Rot. Bonds1

About 2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol

2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol (PubChem CID 81432836) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol
PubChem CID81432836
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol
SMILESCc1cc(C)c(N)c(-c2nc3ccc(O)cc3[nH]2)c1
InChIInChI=1S/C15H15N3O/c1-8-5-9(2)14(16)11(6-8)15-17-12-4-3-10(19)7-13(12)18-15/h3-7,19H,16H2,1-2H3,(H,17,18)
InChIKeySSDUGGORHLCYRR-UHFFFAOYSA-N
XLogP3.13
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol
CID 81431206
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484
2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
CID 82829837
2-(2-methylfuran-3-yl)-3H-benzimidazol-5-ol
CID 81432681
2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol
CID 81431500
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903792
2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol
CID 82815117
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
2-(2-iodophenyl)-3H-benzimidazol-5-ol
CID 81431209
2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol
CID 167259464
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
2-naphthalen-1-yl-3H-benzimidazol-5-ol
CID 81432399

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol (CID 81432836) is 2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol is Cc1cc(C)c(N)c(-c2nc3ccc(O)cc3[nH]2)c1.
What is the InChIKey of 2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol?
The InChIKey is SSDUGGORHLCYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-8-5-9(2)14(16)11(6-8)15-17-12-4-3-10(19)7-13(12)18-15/h3-7,19H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol?
2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol has a molecular weight of 253.31 g/mol, XLogP of 3.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,5-dimethylphenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).