4-(2-amino-6-methylbenzimidazol-1-yl)phenol

C14H13N3O — CID 84799602

IUPAC4-(2-amino-6-methylbenzimidazol-1-yl)phenol
SMILESCc1ccc2nc(N)n(-c3ccc(O)cc3)c2c1
InChIInChI=1S/C14H13N3O/c1-9-2-7-12-13(8-9)17(14(15)16-12)10-3-5-11(18)6-4-10/h2-8,18H,1H3,(H2,15,16)
InChIKeySODYGPDCWKYKHF-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.62
Rot. Bonds1

About 4-(2-amino-6-methylbenzimidazol-1-yl)phenol

4-(2-amino-6-methylbenzimidazol-1-yl)phenol (PubChem CID 84799602) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(2-amino-6-methylbenzimidazol-1-yl)phenol.

Molecular Properties

Compound Name4-(2-amino-6-methylbenzimidazol-1-yl)phenol
PubChem CID84799602
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(2-amino-6-methylbenzimidazol-1-yl)phenol
SMILESCc1ccc2nc(N)n(-c3ccc(O)cc3)c2c1
InChIInChI=1S/C14H13N3O/c1-9-2-7-12-13(8-9)17(14(15)16-12)10-3-5-11(18)6-4-10/h2-8,18H,1H3,(H2,15,16)
InChIKeySODYGPDCWKYKHF-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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Related Compounds

2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol
CID 102225118
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine
CID 114840209
1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
2-amino-3-(4-methylphenyl)benzimidazol-4-ol
CID 84799605
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822
1-(4-butylphenyl)-5-methylbenzimidazol-2-amine
CID 43662088
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
CID 159180645
6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine
CID 65347408

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylbenzimidazol-1-yl)phenol?
The IUPAC name of 4-(2-amino-6-methylbenzimidazol-1-yl)phenol (CID 84799602) is 4-(2-amino-6-methylbenzimidazol-1-yl)phenol.
What is the SMILES notation for 4-(2-amino-6-methylbenzimidazol-1-yl)phenol?
The canonical SMILES for 4-(2-amino-6-methylbenzimidazol-1-yl)phenol is Cc1ccc2nc(N)n(-c3ccc(O)cc3)c2c1.
What is the InChIKey of 4-(2-amino-6-methylbenzimidazol-1-yl)phenol?
The InChIKey is SODYGPDCWKYKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-2-7-12-13(8-9)17(14(15)16-12)10-3-5-11(18)6-4-10/h2-8,18H,1H3,(H2,15,16).
What are the key properties of 4-(2-amino-6-methylbenzimidazol-1-yl)phenol?
4-(2-amino-6-methylbenzimidazol-1-yl)phenol 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 4-(2-amino-6-methylbenzimidazol-1-yl)phenol is sourced from PubChem (CID 84799602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).