5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol

C17H15N7O2 — CID 46861592

IUPAC5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol
SMILESCc1nc(N)nc(-n2c(Nc3cc(O)cc(O)c3)nc3ccccc32)n1
InChIInChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23)
InChIKeyONHIMGKUIUZJBD-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.26
Rot. Bonds3

About 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol

5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol (PubChem CID 46861592) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol.

Molecular Properties

Compound Name5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol
PubChem CID46861592
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol
SMILESCc1nc(N)nc(-n2c(Nc3cc(O)cc(O)c3)nc3ccccc32)n1
InChIInChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23)
InChIKeyONHIMGKUIUZJBD-UHFFFAOYSA-N
XLogP2.26
TPSA135.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol with MolForge

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Related Compounds

3-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10357932
1-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10804748
[(4-{2-[(3-Hydroxyphenyl)amino]-1h-Benzimidazol-1-Yl}-1,3,5-Triazin-2-Yl)amino]acetonitrile
CID 50990922
3-((1-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-1h-benzimidazol-2-yl)amino)phenol
CID 46892970
2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol-1-yl)-6-methyl-1,3,5-triazin-2-ylamino)acetonitrile
CID 46892971
3-(1-(2-methylpyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
CID 46893484
3-(1-(6-amino-2-methylpyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
CID 46893618
3-(1-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
CID 54580062
2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol-1-yl)-6-methoxy-1,3,5-triazin-2-ylamino)acetonitrile
CID 54580063
3-(1-(4-(phenylamino)-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
CID 54581023
3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
CID 54582091
3-(1-(4-(methylamino)-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
CID 54584949

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol?
The IUPAC name of 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol (CID 46861592) is 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol.
What is the SMILES notation for 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol?
The canonical SMILES for 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol is Cc1nc(N)nc(-n2c(Nc3cc(O)cc(O)c3)nc3ccccc32)n1.
What is the InChIKey of 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol?
The InChIKey is ONHIMGKUIUZJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23).
What are the key properties of 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol?
5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol has a molecular weight of 349.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]benzene-1,3-diol is sourced from PubChem (CID 46861592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).