1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid

C10H13N2O3P — CID 23453418

IUPAC1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
SMILESCc1ccc2nc(C(C)P(=O)(O)O)[nH]c2c1
InChIInChI=1S/C10H13N2O3P/c1-6-3-4-8-9(5-6)12-10(11-8)7(2)16(13,14)15/h3-5,7H,1-2H3,(H,11,12)(H2,13,14,15)
InChIKeyVWPHJCNBNMFVLY-UHFFFAOYSA-N
MW240.20 g/mol
LogP2.11
Rot. Bonds2

About 1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid

1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid (PubChem CID 23453418) has the molecular formula C10H13N2O3P and a molecular weight of 240.20 g/mol. Its IUPAC name is 1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid.

Molecular Properties

Compound Name1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
PubChem CID23453418
Molecular FormulaC10H13N2O3P
Molecular Weight240.20 g/mol
Exact Mass240.07
IUPAC Name1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
SMILESCc1ccc2nc(C(C)P(=O)(O)O)[nH]c2c1
InChIInChI=1S/C10H13N2O3P/c1-6-3-4-8-9(5-6)12-10(11-8)7(2)16(13,14)15/h3-5,7H,1-2H3,(H,11,12)(H2,13,14,15)
InChIKeyVWPHJCNBNMFVLY-UHFFFAOYSA-N
XLogP2.11
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474151
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
CID 69315401
2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 27408381

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid?
The IUPAC name of 1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid (CID 23453418) is 1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid.
What is the SMILES notation for 1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid?
The canonical SMILES for 1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid is Cc1ccc2nc(C(C)P(=O)(O)O)[nH]c2c1.
What is the InChIKey of 1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid?
The InChIKey is VWPHJCNBNMFVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O3P/c1-6-3-4-8-9(5-6)12-10(11-8)7(2)16(13,14)15/h3-5,7H,1-2H3,(H,11,12)(H2,13,14,15).
What are the key properties of 1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid?
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid has a molecular weight of 240.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid is sourced from PubChem (CID 23453418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).