[(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium

C11H17N3O2P+ — CID 178148251

IUPAC[(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium
SMILESCO[P+](C)(O)N=c1n(C)c2ccccc2n1C
InChIInChI=1S/C11H17N3O2P/c1-13-9-7-5-6-8-10(9)14(2)11(13)12-17(4,15)16-3/h5-8,15H,1-4H3/q+1
InChIKeySSPHHEKOEUWQAB-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.45
Rot. Bonds2

About [(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium

[(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium (PubChem CID 178148251) has the molecular formula C11H17N3O2P+ and a molecular weight of 254.25 g/mol. Its IUPAC name is [(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium.

Molecular Properties

Compound Name[(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium
PubChem CID178148251
Molecular FormulaC11H17N3O2P+
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name[(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium
SMILESCO[P+](C)(O)N=c1n(C)c2ccccc2n1C
InChIInChI=1S/C11H17N3O2P/c1-13-9-7-5-6-8-10(9)14(2)11(13)12-17(4,15)16-3/h5-8,15H,1-4H3/q+1
InChIKeySSPHHEKOEUWQAB-UHFFFAOYSA-N
XLogP1.45
TPSA51.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
CID 10704781
methoxy-methyl-diphenylphosphanium
CID 23415298
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide
CID 158512571
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine
CID 58672187
ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
CID 83441215
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777

Frequently Asked Questions

What is the IUPAC name of [(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium?
The IUPAC name of [(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium (CID 178148251) is [(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium.
What is the SMILES notation for [(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium?
The canonical SMILES for [(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium is CO[P+](C)(O)N=c1n(C)c2ccccc2n1C.
What is the InChIKey of [(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium?
The InChIKey is SSPHHEKOEUWQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2P/c1-13-9-7-5-6-8-10(9)14(2)11(13)12-17(4,15)16-3/h5-8,15H,1-4H3/q+1.
What are the key properties of [(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium?
[(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium has a molecular weight of 254.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,3-dimethylbenzimidazol-2-ylidene)amino]-hydroxy-methoxy-methylphosphanium is sourced from PubChem (CID 178148251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).