4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole

C14H10ClIN2 — CID 141189782

IUPAC4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole
SMILESClc1cccc2[nH]c(Cc3cccc(I)c3)nc12
InChIInChI=1S/C14H10ClIN2/c15-11-5-2-6-12-14(11)18-13(17-12)8-9-3-1-4-10(16)7-9/h1-7H,8H2,(H,17,18)
InChIKeyOECLCCYGGXDNCZ-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.41
Rot. Bonds2

About 4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole

4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole (PubChem CID 141189782) has the molecular formula C14H10ClIN2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole
PubChem CID141189782
Molecular FormulaC14H10ClIN2
Molecular Weight368.61 g/mol
Exact Mass367.96
IUPAC Name4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole
SMILESClc1cccc2[nH]c(Cc3cccc(I)c3)nc12
InChIInChI=1S/C14H10ClIN2/c15-11-5-2-6-12-14(11)18-13(17-12)8-9-3-1-4-10(16)7-9/h1-7H,8H2,(H,17,18)
InChIKeyOECLCCYGGXDNCZ-UHFFFAOYSA-N
XLogP4.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.41
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 4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole?
The IUPAC name of 4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole (CID 141189782) is 4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole is Clc1cccc2[nH]c(Cc3cccc(I)c3)nc12.
What is the InChIKey of 4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole?
The InChIKey is OECLCCYGGXDNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2/c15-11-5-2-6-12-14(11)18-13(17-12)8-9-3-1-4-10(16)7-9/h1-7H,8H2,(H,17,18).
What are the key properties of 4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole?
4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole has a molecular weight of 368.61 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-iodophenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 141189782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).