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

C17H15N7O — CID 46892970

IUPAC3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol
SMILESCc1nc(N)nc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1
InChIInChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
InChIKeyDQEGKWHMQYJUKR-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.55
Rot. Bonds3

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

3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol (PubChem CID 46892970) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol
PubChem CID46892970
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol
SMILESCc1nc(N)nc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1
InChIInChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
InChIKeyDQEGKWHMQYJUKR-UHFFFAOYSA-N
XLogP2.55
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-Amino-1H-benzimidazol-5-ol
CID 162636
1-(4-Hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 628693
1-Phenyl-5-hydroxybenzimidazole
CID 667662
2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 9840849
3-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10357932
2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 10472142
1-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10804748
5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)benzene-1,3-diol
CID 46861592
3-[[9-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]purin-8-yl]amino]phenol
CID 54761308
2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 10337265
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
3-{[2-(1H-Benzimidazol-1-YL)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-YL]amino}-4-methylphenol
CID 9547983

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol?
The IUPAC name of 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol (CID 46892970) is 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol.
What is the SMILES notation for 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol?
The canonical SMILES for 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol is Cc1nc(N)nc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1.
What is the InChIKey of 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol?
The InChIKey is DQEGKWHMQYJUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23).
What are the key properties of 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol?
3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol has a molecular weight of 333.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenol is sourced from PubChem (CID 46892970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).