5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol

C17H15N7O2 — CID 23536130

IUPAC5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol
SMILESCOc1ccc(Nc2ncnc(-n3c(N)nc4ccccc43)n2)cc1O
InChIInChI=1S/C17H15N7O2/c1-26-14-7-6-10(8-13(14)25)21-16-19-9-20-17(23-16)24-12-5-3-2-4-11(12)22-15(24)18/h2-9,25H,1H3,(H2,18,22)(H,19,20,21,23)
InChIKeyXRXDBEPNENNTMY-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.25
Rot. Bonds4

About 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol

5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol (PubChem CID 23536130) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol
PubChem CID23536130
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol
SMILESCOc1ccc(Nc2ncnc(-n3c(N)nc4ccccc43)n2)cc1O
InChIInChI=1S/C17H15N7O2/c1-26-14-7-6-10(8-13(14)25)21-16-19-9-20-17(23-16)24-12-5-3-2-4-11(12)22-15(24)18/h2-9,25H,1H3,(H2,18,22)(H,19,20,21,23)
InChIKeyXRXDBEPNENNTMY-UHFFFAOYSA-N
XLogP2.25
TPSA124.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol with MolForge

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Related Compounds

1-[4-(4-ethylanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23535674
1-[4-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23535624
N-(4-methylphenyl)-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536773
N-(3-fluorophenyl)-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536518
3-[[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]benzoic acid
CID 23535788
5-[[4-[2-[(4-chlorophenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]-2-methoxybenzene-1,3-diol
CID 142056761
N-prop-2-enyl-1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-amine
CID 23536696
4-[[[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]methyl]benzenesulfonamide
CID 23535894
1-(2,5-dimethoxyphenyl)benzimidazol-2-amine
CID 43148885
3-[[4-[2-[(4-methoxyphenyl)methylamino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]benzoic acid
CID 23535805
2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 22496137
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol?
The IUPAC name of 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol (CID 23536130) is 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol.
What is the SMILES notation for 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol?
The canonical SMILES for 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol is COc1ccc(Nc2ncnc(-n3c(N)nc4ccccc43)n2)cc1O.
What is the InChIKey of 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol?
The InChIKey is XRXDBEPNENNTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-26-14-7-6-10(8-13(14)25)21-16-19-9-20-17(23-16)24-12-5-3-2-4-11(12)22-15(24)18/h2-9,25H,1H3,(H2,18,22)(H,19,20,21,23).
What are the key properties of 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol?
5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol has a molecular weight of 349.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methoxyphenol is sourced from PubChem (CID 23536130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).