[5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid

C15H17N2O4P — CID 22459964

IUPAC[5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
SMILESCC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2ccccc21
InChIInChI=1S/C15H17N2O4P/c1-10(2)9-17-12-6-4-3-5-11(12)16-15(17)13-7-8-14(21-13)22(18,19)20/h3-8,10H,9H2,1-2H3,(H2,18,19,20)
InChIKeyFITPENLDKSSYOO-UHFFFAOYSA-N
MW320.29 g/mol
LogP2.76
Rot. Bonds4

About [5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid

[5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid (PubChem CID 22459964) has the molecular formula C15H17N2O4P and a molecular weight of 320.29 g/mol. Its IUPAC name is [5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
PubChem CID22459964
Molecular FormulaC15H17N2O4P
Molecular Weight320.29 g/mol
Exact Mass320.09
IUPAC Name[5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
SMILESCC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2ccccc21
InChIInChI=1S/C15H17N2O4P/c1-10(2)9-17-12-6-4-3-5-11(12)16-15(17)13-7-8-14(21-13)22(18,19)20/h3-8,10H,9H2,1-2H3,(H2,18,19,20)
InChIKeyFITPENLDKSSYOO-UHFFFAOYSA-N
XLogP2.76
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[1-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]furan-2-yl]phosphonic acid
CID 25029959
[5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459930
[5-[4-amino-5-chloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 44627038
[5-(4-amino-1-benzylbenzimidazol-2-yl)furan-2-yl]phosphonic acid
CID 44626845
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
[5-[1-(4-aminobutyl)-6-chlorobenzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459906
2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole
CID 72924240
1-(2-methylpropyl)-2-(3-nitrophenyl)benzimidazole
CID 146024319
[5-[4-amino-7-[3-(dimethylamino)propyl]-5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 44627481
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775

Frequently Asked Questions

What is the IUPAC name of [5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid?
The IUPAC name of [5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid (CID 22459964) is [5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid?
The canonical SMILES for [5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid is CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2ccccc21.
What is the InChIKey of [5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid?
The InChIKey is FITPENLDKSSYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2O4P/c1-10(2)9-17-12-6-4-3-5-11(12)16-15(17)13-7-8-14(21-13)22(18,19)20/h3-8,10H,9H2,1-2H3,(H2,18,19,20).
What are the key properties of [5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid?
[5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid has a molecular weight of 320.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid is sourced from PubChem (CID 22459964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).