[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol

C19H23N7O3 — CID 11955694

IUPAC[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23N7O3/c27-13-16-20-14-3-1-2-4-15(14)26(16)19-22-17(24-5-9-28-10-6-24)21-18(23-19)25-7-11-29-12-8-25/h1-4,27H,5-13H2
InChIKeyQIKMZLIWHHGXQS-UHFFFAOYSA-N
MW397.44 g/mol
LogP0.38
Rot. Bonds4

About [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol

[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol (PubChem CID 11955694) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol
PubChem CID11955694
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23N7O3/c27-13-16-20-14-3-1-2-4-15(14)26(16)19-22-17(24-5-9-28-10-6-24)21-18(23-19)25-7-11-29-12-8-25/h1-4,27H,5-13H2
InChIKeyQIKMZLIWHHGXQS-UHFFFAOYSA-N
XLogP0.38
TPSA101.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Emedastine
CID 3219
2-(Difluoromethyl)-1-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-1H-benzimidazole
CID 11647372
Ethanol, 1-(1-methyl-2-benzimidazolyl)-
CID 97831
(1-methyl-1H-1,3-benzodiazol-2-yl)methanol
CID 344177
2-(2-Methyl-1H-benzimidazol-1-yl)ethan-1-ol
CID 761926
2-[1-({2-[2-(Dimethylamino)-1h-Benzimidazol-1-Yl]-9-Methyl-6-(Morpholin-4-Yl)-9h-Purin-8-Yl}methyl)piperidin-4-Yl]propan-2-Ol
CID 59605870
2-[(1-Methyl-1h-Benzimidazol-2-Yl)methyl]-6-Morpholin-4-Ylpyrimidin-4(3h)-One
CID 135566644
2-(Difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-amine
CID 22036837
4-(8-((4-tert-butylpiperazin-1-yl)methyl)-2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-9H-purin-6-yl)morpholine
CID 59605803
2-(2-Chloro-benzoimidazol-1-yl)-ethanol
CID 1089243
3-Methyl-1-(morpholin-4-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 356290
2-{1-methyl-4-[(1-methyl-1H-benzimidazol-2-yl)methyl]piperazin-2-yl}ethanol
CID 23723742

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol?
The IUPAC name of [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol (CID 11955694) is [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol?
The canonical SMILES for [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol?
The InChIKey is QIKMZLIWHHGXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c27-13-16-20-14-3-1-2-4-15(14)26(16)19-22-17(24-5-9-28-10-6-24)21-18(23-19)25-7-11-29-12-8-25/h1-4,27H,5-13H2.
What are the key properties of [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol?
[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol has a molecular weight of 397.44 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 11955694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).