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

C15H15N3O — CID 102225118

IUPAC2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol
SMILESCc1cc(C)cc(-n2c(N)nc3ccc(O)cc32)c1
InChIInChI=1S/C15H15N3O/c1-9-5-10(2)7-11(6-9)18-14-8-12(19)3-4-13(14)17-15(18)16/h3-8,19H,1-2H3,(H2,16,17)
InChIKeyWYWIEROAWHOIIC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.93
Rot. Bonds1

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

2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol (PubChem CID 102225118) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol.

Molecular Properties

Compound Name2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol
PubChem CID102225118
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol
SMILESCc1cc(C)cc(-n2c(N)nc3ccc(O)cc32)c1
InChIInChI=1S/C15H15N3O/c1-9-5-10(2)7-11(6-9)18-14-8-12(19)3-4-13(14)17-15(18)16/h3-8,19H,1-2H3,(H2,16,17)
InChIKeyWYWIEROAWHOIIC-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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Related Compounds

4-(2-amino-6-methylbenzimidazol-1-yl)phenol
CID 84799602
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692
5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
CID 43659458
1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine
CID 66080790
5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66076552
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591
3-methyl-2-(4-methylphenyl)benzimidazol-5-ol
CID 84700718
2-(2-aminobenzimidazol-1-yl)-4,6-dimethylphenol
CID 164618376
1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107575938
1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 62376839

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol?
The IUPAC name of 2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol (CID 102225118) is 2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol.
What is the SMILES notation for 2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol?
The canonical SMILES for 2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol is Cc1cc(C)cc(-n2c(N)nc3ccc(O)cc32)c1.
What is the InChIKey of 2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol?
The InChIKey is WYWIEROAWHOIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-5-10(2)7-11(6-9)18-14-8-12(19)3-4-13(14)17-15(18)16/h3-8,19H,1-2H3,(H2,16,17).
What are the key properties of 2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol?
2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol 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-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol is sourced from PubChem (CID 102225118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).