2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole

C14H9Cl3N2 — CID 118676319

IUPAC2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole
SMILESClc1ccc(C(Cl)n2c(Cl)nc3ccccc32)cc1
InChIInChI=1S/C14H9Cl3N2/c15-10-7-5-9(6-8-10)13(16)19-12-4-2-1-3-11(12)18-14(19)17/h1-8,13H
InChIKeyVUFNFLBGHCPLJJ-UHFFFAOYSA-N
MW311.60 g/mol
LogP5.13
Rot. Bonds2

About 2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole

2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole (PubChem CID 118676319) has the molecular formula C14H9Cl3N2 and a molecular weight of 311.60 g/mol. Its IUPAC name is 2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole
PubChem CID118676319
Molecular FormulaC14H9Cl3N2
Molecular Weight311.60 g/mol
Exact Mass309.98
IUPAC Name2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole
SMILESClc1ccc(C(Cl)n2c(Cl)nc3ccccc32)cc1
InChIInChI=1S/C14H9Cl3N2/c15-10-7-5-9(6-8-10)13(16)19-12-4-2-1-3-11(12)18-14(19)17/h1-8,13H
InChIKeyVUFNFLBGHCPLJJ-UHFFFAOYSA-N
XLogP5.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole (CID 118676319) is 2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole is Clc1ccc(C(Cl)n2c(Cl)nc3ccccc32)cc1.
What is the InChIKey of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole?
The InChIKey is VUFNFLBGHCPLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2/c15-10-7-5-9(6-8-10)13(16)19-12-4-2-1-3-11(12)18-14(19)17/h1-8,13H.
What are the key properties of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole?
2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole has a molecular weight of 311.60 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[chloro-(4-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 118676319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).