sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate

C10H12N2NaO2P — CID 23707910

IUPACsodium (1-ethylbenzimidazol-2-yl)-methylphosphinate
SMILESCCn1c(P(C)(=O)[O-])nc2ccccc21.[Na+]
InChIInChI=1S/C10H13N2O2P.Na/c1-3-12-9-7-5-4-6-8(9)11-10(12)15(2,13)14;/h4-7H,3H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyMOEBVDSMFCIPAO-UHFFFAOYSA-M
MW246.18 g/mol
LogP-2.05
Rot. Bonds2

About sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate

sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate (PubChem CID 23707910) has the molecular formula C10H12N2NaO2P and a molecular weight of 246.18 g/mol. Its IUPAC name is sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate.

Molecular Properties

Compound Namesodium (1-ethylbenzimidazol-2-yl)-methylphosphinate
PubChem CID23707910
Molecular FormulaC10H12N2NaO2P
Molecular Weight246.18 g/mol
Exact Mass246.05
IUPAC Namesodium (1-ethylbenzimidazol-2-yl)-methylphosphinate
SMILESCCn1c(P(C)(=O)[O-])nc2ccccc21.[Na+]
InChIInChI=1S/C10H13N2O2P.Na/c1-3-12-9-7-5-4-6-8(9)11-10(12)15(2,13)14;/h4-7H,3H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyMOEBVDSMFCIPAO-UHFFFAOYSA-M
XLogP-2.05
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 5-2.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium (1-ethylbenzimidazol-2-yl)-methylphosphinate
CID 45142969
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
2-(1-ethylbenzimidazol-2-yl)-3-methylquinoxaline
CID 14365362
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
1-ethyl-3-methylquinoxaline-2-thione
CID 146015013
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190

Frequently Asked Questions

What is the IUPAC name of sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate?
The IUPAC name of sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate (CID 23707910) is sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate.
What is the SMILES notation for sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate?
The canonical SMILES for sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate is CCn1c(P(C)(=O)[O-])nc2ccccc21.[Na+].
What is the InChIKey of sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate?
The InChIKey is MOEBVDSMFCIPAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13N2O2P.Na/c1-3-12-9-7-5-4-6-8(9)11-10(12)15(2,13)14;/h4-7H,3H2,1-2H3,(H,13,14);/q;+1/p-1.
What are the key properties of sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate?
sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate has a molecular weight of 246.18 g/mol, XLogP of -2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate is sourced from PubChem (CID 23707910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).