6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole

C16H13Cl3N2 — CID 115470773

IUPAC6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H13Cl3N2/c1-10(17)16-20-14-7-6-12(18)8-15(14)21(16)9-11-4-2-3-5-13(11)19/h2-8,10H,9H2,1H3
InChIKeyJDTFCWCSSWMUKL-UHFFFAOYSA-N
MW339.65 g/mol
LogP5.69
Rot. Bonds3

About 6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole

6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole (PubChem CID 115470773) has the molecular formula C16H13Cl3N2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
PubChem CID115470773
Molecular FormulaC16H13Cl3N2
Molecular Weight339.65 g/mol
Exact Mass338.01
IUPAC Name6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H13Cl3N2/c1-10(17)16-20-14-7-6-12(18)8-15(14)21(16)9-11-4-2-3-5-13(11)19/h2-8,10H,9H2,1H3
InChIKeyJDTFCWCSSWMUKL-UHFFFAOYSA-N
XLogP5.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 115471524
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
5-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 115471371
6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 115471181
6-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494127
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113316345

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole (CID 115470773) is 6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1Cc1ccccc1Cl.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
The InChIKey is JDTFCWCSSWMUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2/c1-10(17)16-20-14-7-6-12(18)8-15(14)21(16)9-11-4-2-3-5-13(11)19/h2-8,10H,9H2,1H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole has a molecular weight of 339.65 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 115470773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).