[5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid

C15H15Cl2N2O4P — CID 22459930

IUPAC[5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
SMILESCC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H15Cl2N2O4P/c1-8(2)7-19-12-6-10(17)9(16)5-11(12)18-15(19)13-3-4-14(23-13)24(20,21)22/h3-6,8H,7H2,1-2H3,(H2,20,21,22)
InChIKeyARNAHTBOORHLPG-UHFFFAOYSA-N
MW389.18 g/mol
LogP4.06
Rot. Bonds4

About [5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid

[5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid (PubChem CID 22459930) has the molecular formula C15H15Cl2N2O4P and a molecular weight of 389.18 g/mol. Its IUPAC name is [5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
PubChem CID22459930
Molecular FormulaC15H15Cl2N2O4P
Molecular Weight389.18 g/mol
Exact Mass388.01
IUPAC Name[5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
SMILESCC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H15Cl2N2O4P/c1-8(2)7-19-12-6-10(17)9(16)5-11(12)18-15(19)13-3-4-14(23-13)24(20,21)22/h3-6,8H,7H2,1-2H3,(H2,20,21,22)
InChIKeyARNAHTBOORHLPG-UHFFFAOYSA-N
XLogP4.06
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.18
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid?
The IUPAC name of [5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid (CID 22459930) is [5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid?
The canonical SMILES for [5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid is CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of [5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid?
The InChIKey is ARNAHTBOORHLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N2O4P/c1-8(2)7-19-12-6-10(17)9(16)5-11(12)18-15(19)13-3-4-14(23-13)24(20,21)22/h3-6,8H,7H2,1-2H3,(H2,20,21,22).
What are the key properties of [5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid?
[5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid has a molecular weight of 389.18 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5,6-dichloro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid is sourced from PubChem (CID 22459930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).