2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole

C15H12ClIN2 — CID 103222477

IUPAC2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3ccc(I)c(Cl)c3)[nH]c2cc1C
InChIInChI=1S/C15H12ClIN2/c1-8-5-13-14(6-9(8)2)19-15(18-13)10-3-4-12(17)11(16)7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyJRKXVXGTEYUXTA-UHFFFAOYSA-N
MW382.63 g/mol
LogP5.10
Rot. Bonds1

About 2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole

2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 103222477) has the molecular formula C15H12ClIN2 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
PubChem CID103222477
Molecular FormulaC15H12ClIN2
Molecular Weight382.63 g/mol
Exact Mass381.97
IUPAC Name2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3ccc(I)c(Cl)c3)[nH]c2cc1C
InChIInChI=1S/C15H12ClIN2/c1-8-5-13-14(6-9(8)2)19-15(18-13)10-3-4-12(17)11(16)7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyJRKXVXGTEYUXTA-UHFFFAOYSA-N
XLogP5.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole (CID 103222477) is 2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole is Cc1cc2nc(-c3ccc(I)c(Cl)c3)[nH]c2cc1C.
What is the InChIKey of 2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is JRKXVXGTEYUXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2/c1-8-5-13-14(6-9(8)2)19-15(18-13)10-3-4-12(17)11(16)7-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole?
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 382.63 g/mol, XLogP of 5.10, 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)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 103222477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).