2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole

C13H7ClFIN2 — CID 103222483

IUPAC2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
SMILESFc1cccc2[nH]c(-c3ccc(I)c(Cl)c3)nc12
InChIInChI=1S/C13H7ClFIN2/c14-8-6-7(4-5-10(8)16)13-17-11-3-1-2-9(15)12(11)18-13/h1-6H,(H,17,18)
InChIKeyYTWAOUJLWHLRMD-UHFFFAOYSA-N
MW372.57 g/mol
LogP4.63
Rot. Bonds1

About 2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole

2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole (PubChem CID 103222483) has the molecular formula C13H7ClFIN2 and a molecular weight of 372.57 g/mol. Its IUPAC name is 2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
PubChem CID103222483
Molecular FormulaC13H7ClFIN2
Molecular Weight372.57 g/mol
Exact Mass371.93
IUPAC Name2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
SMILESFc1cccc2[nH]c(-c3ccc(I)c(Cl)c3)nc12
InChIInChI=1S/C13H7ClFIN2/c14-8-6-7(4-5-10(8)16)13-17-11-3-1-2-9(15)12(11)18-13/h1-6H,(H,17,18)
InChIKeyYTWAOUJLWHLRMD-UHFFFAOYSA-N
XLogP4.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.57
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(4-fluoro-1H-benzimidazol-2-yl)aniline
CID 54920023
2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole
CID 103222497
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 60784143
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
CID 60979206
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
4-chloro-2-(4-iodophenyl)-1H-benzimidazole
CID 28690808
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630
2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
CID 60977992

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole (CID 103222483) is 2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole is Fc1cccc2[nH]c(-c3ccc(I)c(Cl)c3)nc12.
What is the InChIKey of 2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole?
The InChIKey is YTWAOUJLWHLRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFIN2/c14-8-6-7(4-5-10(8)16)13-17-11-3-1-2-9(15)12(11)18-13/h1-6H,(H,17,18).
What are the key properties of 2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole?
2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole has a molecular weight of 372.57 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 103222483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).