2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole

C15H10Cl4N2 — CID 45276591

IUPAC2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole
SMILESClc1nc2ccccc2n1Cc1ccc(C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H10Cl4N2/c16-14-20-12-3-1-2-4-13(12)21(14)9-10-5-7-11(8-6-10)15(17,18)19/h1-8H,9H2
InChIKeyNKZUIZBETYPWKA-UHFFFAOYSA-N
MW360.07 g/mol
LogP5.56
Rot. Bonds2

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

2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole (PubChem CID 45276591) has the molecular formula C15H10Cl4N2 and a molecular weight of 360.07 g/mol. Its IUPAC name is 2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole
PubChem CID45276591
Molecular FormulaC15H10Cl4N2
Molecular Weight360.07 g/mol
Exact Mass357.96
IUPAC Name2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole
SMILESClc1nc2ccccc2n1Cc1ccc(C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H10Cl4N2/c16-14-20-12-3-1-2-4-13(12)21(14)9-10-5-7-11(8-6-10)15(17,18)19/h1-8H,9H2
InChIKeyNKZUIZBETYPWKA-UHFFFAOYSA-N
XLogP5.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.07
LogP ≤ 55.56
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-[[4-(trichloromethyl)phenyl]methyl]benzimidazole?
The IUPAC name of 2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole (CID 45276591) is 2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole.
What is the SMILES notation for 2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole?
The canonical SMILES for 2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole is Clc1nc2ccccc2n1Cc1ccc(C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole?
The InChIKey is NKZUIZBETYPWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2/c16-14-20-12-3-1-2-4-13(12)21(14)9-10-5-7-11(8-6-10)15(17,18)19/h1-8H,9H2.
What are the key properties of 2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole?
2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole has a molecular weight of 360.07 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[[4-(trichloromethyl)phenyl]methyl]benzimidazole is sourced from PubChem (CID 45276591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).