3-(2-amino-5-methylbenzimidazol-1-yl)phenol

C14H13N3O — CID 84799591

IUPAC3-(2-amino-5-methylbenzimidazol-1-yl)phenol
SMILESCc1ccc2c(c1)nc(N)n2-c1cccc(O)c1
InChIInChI=1S/C14H13N3O/c1-9-5-6-13-12(7-9)16-14(15)17(13)10-3-2-4-11(18)8-10/h2-8,18H,1H3,(H2,15,16)
InChIKeyBOENSKMNRJTZQX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.62
Rot. Bonds1

About 3-(2-amino-5-methylbenzimidazol-1-yl)phenol

3-(2-amino-5-methylbenzimidazol-1-yl)phenol (PubChem CID 84799591) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(2-amino-5-methylbenzimidazol-1-yl)phenol.

Molecular Properties

Compound Name3-(2-amino-5-methylbenzimidazol-1-yl)phenol
PubChem CID84799591
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-(2-amino-5-methylbenzimidazol-1-yl)phenol
SMILESCc1ccc2c(c1)nc(N)n2-c1cccc(O)c1
InChIInChI=1S/C14H13N3O/c1-9-5-6-13-12(7-9)16-14(15)17(13)10-3-2-4-11(18)8-10/h2-8,18H,1H3,(H2,15,16)
InChIKeyBOENSKMNRJTZQX-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

1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852
5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880
4-(2-amino-6-methylbenzimidazol-1-yl)phenol
CID 84799602
2-amino-1-(2-methylphenyl)benzimidazol-5-ol
CID 84799586
1-(2-iodophenyl)-5-methylbenzimidazol-2-amine
CID 43661748
2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol
CID 102225118
5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 43661906
1-(4-butylphenyl)-5-methylbenzimidazol-2-amine
CID 43662088
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine
CID 66080790
5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
CID 43659458
3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
CID 58393454

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methylbenzimidazol-1-yl)phenol?
The IUPAC name of 3-(2-amino-5-methylbenzimidazol-1-yl)phenol (CID 84799591) is 3-(2-amino-5-methylbenzimidazol-1-yl)phenol.
What is the SMILES notation for 3-(2-amino-5-methylbenzimidazol-1-yl)phenol?
The canonical SMILES for 3-(2-amino-5-methylbenzimidazol-1-yl)phenol is Cc1ccc2c(c1)nc(N)n2-c1cccc(O)c1.
What is the InChIKey of 3-(2-amino-5-methylbenzimidazol-1-yl)phenol?
The InChIKey is BOENSKMNRJTZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-5-6-13-12(7-9)16-14(15)17(13)10-3-2-4-11(18)8-10/h2-8,18H,1H3,(H2,15,16).
What are the key properties of 3-(2-amino-5-methylbenzimidazol-1-yl)phenol?
3-(2-amino-5-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 3-(2-amino-5-methylbenzimidazol-1-yl)phenol is sourced from PubChem (CID 84799591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).