1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid

C15H10ClIN2O2 — CID 107638237

IUPAC1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C15H10ClIN2O2/c1-8-18-12-6-9(15(20)21)2-4-14(12)19(8)13-5-3-10(16)7-11(13)17/h2-7H,1H3,(H,20,21)
InChIKeyUBBKFEMLCGUTKA-UHFFFAOYSA-N
MW412.61 g/mol
LogP4.29
Rot. Bonds2

About 1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid

1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 107638237) has the molecular formula C15H10ClIN2O2 and a molecular weight of 412.61 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID107638237
Molecular FormulaC15H10ClIN2O2
Molecular Weight412.61 g/mol
Exact Mass411.95
IUPAC Name1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C15H10ClIN2O2/c1-8-18-12-6-9(15(20)21)2-4-14(12)19(8)13-5-3-10(16)7-11(13)17/h2-7H,1H3,(H,20,21)
InChIKeyUBBKFEMLCGUTKA-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.61
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43322761
3-(2-chloro-4-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107607370
1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 61470338
1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63549022
1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107638215
1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 43140431
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 82871862
2-(2-chloroethyl)-1-(4-chloro-2-iodophenyl)-5-methylbenzimidazole
CID 107637947
3-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82770415
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid (CID 107638237) is 1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(Cl)cc1I.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is UBBKFEMLCGUTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O2/c1-8-18-12-6-9(15(20)21)2-4-14(12)19(8)13-5-3-10(16)7-11(13)17/h2-7H,1H3,(H,20,21).
What are the key properties of 1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid?
1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 412.61 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 107638237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).