[(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium

C9H8ClN3O4P+ — CID 19759658

IUPAC[(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium
SMILESO=C(O)c1nc2c(CN[P+](=O)O)cc(Cl)cc2[nH]1
InChIInChI=1S/C9H7ClN3O4P/c10-5-1-4(3-11-18(16)17)7-6(2-5)12-8(13-7)9(14)15/h1-2H,3H2,(H3-,11,12,13,14,15,16,17)/p+1
InChIKeyNXQQSVNYPMABSW-UHFFFAOYSA-O
MW288.61 g/mol
LogP1.65
Rot. Bonds4

About [(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium

[(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium (PubChem CID 19759658) has the molecular formula C9H8ClN3O4P+ and a molecular weight of 288.61 g/mol. Its IUPAC name is [(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium
PubChem CID19759658
Molecular FormulaC9H8ClN3O4P+
Molecular Weight288.61 g/mol
Exact Mass287.99
IUPAC Name[(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium
SMILESO=C(O)c1nc2c(CN[P+](=O)O)cc(Cl)cc2[nH]1
InChIInChI=1S/C9H7ClN3O4P/c10-5-1-4(3-11-18(16)17)7-6(2-5)12-8(13-7)9(14)15/h1-2H,3H2,(H3-,11,12,13,14,15,16,17)/p+1
InChIKeyNXQQSVNYPMABSW-UHFFFAOYSA-O
XLogP1.65
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.61
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium?
The IUPAC name of [(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium (CID 19759658) is [(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium.
What is the SMILES notation for [(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium?
The canonical SMILES for [(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium is O=C(O)c1nc2c(CN[P+](=O)O)cc(Cl)cc2[nH]1.
What is the InChIKey of [(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium?
The InChIKey is NXQQSVNYPMABSW-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7ClN3O4P/c10-5-1-4(3-11-18(16)17)7-6(2-5)12-8(13-7)9(14)15/h1-2H,3H2,(H3-,11,12,13,14,15,16,17)/p+1.
What are the key properties of [(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium?
[(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium has a molecular weight of 288.61 g/mol, XLogP of 1.65, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-carboxy-6-chloro-1H-benzimidazol-4-yl)methylamino]-hydroxy-oxophosphanium is sourced from PubChem (CID 19759658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).