1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid

C10H13N2O3P — CID 23453414

IUPAC1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid
SMILESCC(c1nc2ccccc2n1C)P(=O)(O)O
InChIInChI=1S/C10H13N2O3P/c1-7(16(13,14)15)10-11-8-5-3-4-6-9(8)12(10)2/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyFSUHRKCREVPWKT-UHFFFAOYSA-N
MW240.20 g/mol
LogP1.81
Rot. Bonds2

About 1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid

1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid (PubChem CID 23453414) has the molecular formula C10H13N2O3P and a molecular weight of 240.20 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid
PubChem CID23453414
Molecular FormulaC10H13N2O3P
Molecular Weight240.20 g/mol
Exact Mass240.07
IUPAC Name1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid
SMILESCC(c1nc2ccccc2n1C)P(=O)(O)O
InChIInChI=1S/C10H13N2O3P/c1-7(16(13,14)15)10-11-8-5-3-4-6-9(8)12(10)2/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyFSUHRKCREVPWKT-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 2891070
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 119890012
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid (CID 23453414) is 1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid is CC(c1nc2ccccc2n1C)P(=O)(O)O.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid?
The InChIKey is FSUHRKCREVPWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O3P/c1-7(16(13,14)15)10-11-8-5-3-4-6-9(8)12(10)2/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid?
1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid has a molecular weight of 240.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)ethylphosphonic acid is sourced from PubChem (CID 23453414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).