N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide

C20H13ClIN3O — CID 17116708

IUPACN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(I)c1
InChIInChI=1S/C20H13ClIN3O/c21-15-9-8-12(19-23-16-6-1-2-7-17(16)24-19)11-18(15)25-20(26)13-4-3-5-14(22)10-13/h1-11H,(H,23,24)(H,25,26)
InChIKeyHVJZAIIHGHRSTH-UHFFFAOYSA-N
MW473.70 g/mol
LogP5.74
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide (PubChem CID 17116708) has the molecular formula C20H13ClIN3O and a molecular weight of 473.70 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide
PubChem CID17116708
Molecular FormulaC20H13ClIN3O
Molecular Weight473.70 g/mol
Exact Mass472.98
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(I)c1
InChIInChI=1S/C20H13ClIN3O/c21-15-9-8-12(19-23-16-6-1-2-7-17(16)24-19)11-18(15)25-20(26)13-4-3-5-14(22)10-13/h1-11H,(H,23,24)(H,25,26)
InChIKeyHVJZAIIHGHRSTH-UHFFFAOYSA-N
XLogP5.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.70
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide
CID 6457189
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 146052786
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2,2-trifluoroacetamide
CID 17334874
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide
CID 17100751
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 17100747
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethylbenzamide
CID 22780202
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 2980690
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 17104325
N-(1H-benzimidazol-2-yl)-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 11857992
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17114836
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
CID 3114141

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide (CID 17116708) is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide is O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(I)c1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide?
The InChIKey is HVJZAIIHGHRSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClIN3O/c21-15-9-8-12(19-23-16-6-1-2-7-17(16)24-19)11-18(15)25-20(26)13-4-3-5-14(22)10-13/h1-11H,(H,23,24)(H,25,26).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide?
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide has a molecular weight of 473.70 g/mol, XLogP of 5.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide is sourced from PubChem (CID 17116708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).