[(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid

C10H11ClN3O4P — CID 19759710

IUPAC[(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid
SMILESCc1cc2[nH]c(C(=O)NCP(=O)(O)O)nc2cc1Cl
InChIInChI=1S/C10H11ClN3O4P/c1-5-2-7-8(3-6(5)11)14-9(13-7)10(15)12-4-19(16,17)18/h2-3H,4H2,1H3,(H,12,15)(H,13,14)(H2,16,17,18)
InChIKeyLXTATKDQOMXNJM-UHFFFAOYSA-N
MW303.64 g/mol
LogP1.39
Rot. Bonds3

About [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid

[(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid (PubChem CID 19759710) has the molecular formula C10H11ClN3O4P and a molecular weight of 303.64 g/mol. Its IUPAC name is [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid
PubChem CID19759710
Molecular FormulaC10H11ClN3O4P
Molecular Weight303.64 g/mol
Exact Mass303.02
IUPAC Name[(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid
SMILESCc1cc2[nH]c(C(=O)NCP(=O)(O)O)nc2cc1Cl
InChIInChI=1S/C10H11ClN3O4P/c1-5-2-7-8(3-6(5)11)14-9(13-7)10(15)12-4-19(16,17)18/h2-3H,4H2,1H3,(H,12,15)(H,13,14)(H2,16,17,18)
InChIKeyLXTATKDQOMXNJM-UHFFFAOYSA-N
XLogP1.39
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.64
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid?
The IUPAC name of [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid (CID 19759710) is [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid.
What is the SMILES notation for [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid?
The canonical SMILES for [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid is Cc1cc2[nH]c(C(=O)NCP(=O)(O)O)nc2cc1Cl.
What is the InChIKey of [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid?
The InChIKey is LXTATKDQOMXNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN3O4P/c1-5-2-7-8(3-6(5)11)14-9(13-7)10(15)12-4-19(16,17)18/h2-3H,4H2,1H3,(H,12,15)(H,13,14)(H2,16,17,18).
What are the key properties of [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid?
[(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid has a molecular weight of 303.64 g/mol, XLogP of 1.39, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-6-methyl-1H-benzimidazole-2-carbonyl)amino]methylphosphonic acid is sourced from PubChem (CID 19759710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).