4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole

C17H16Cl2N2 — CID 104837381

IUPAC4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
SMILESClCCc1nc2c(Cl)cccc2n1CCc1ccccc1
InChIInChI=1S/C17H16Cl2N2/c18-11-9-16-20-17-14(19)7-4-8-15(17)21(16)12-10-13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyLOMWESUXSBGYCQ-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.71
Rot. Bonds5

About 4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole

4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole (PubChem CID 104837381) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
PubChem CID104837381
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
SMILESClCCc1nc2c(Cl)cccc2n1CCc1ccccc1
InChIInChI=1S/C17H16Cl2N2/c18-11-9-16-20-17-14(19)7-4-8-15(17)21(16)12-10-13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyLOMWESUXSBGYCQ-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.71
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

4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole
CID 104838360
4-chloro-2-(chloromethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 104837726
4-chloro-2-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)benzimidazole
CID 104838552
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 104837684
4-chloro-2-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]benzimidazole
CID 104838039
4-chloro-2-(2-chloroethyl)-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906979
4-chloro-2-(2-chloroethyl)-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 104837980
4-chloro-2-(2-chloroethyl)-1-[(1-methylimidazol-2-yl)methyl]benzimidazole
CID 104838123
4-chloro-2-(2-chloroethyl)-1-(cyclohexylmethyl)benzimidazole
CID 104837648
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 43666409
4-chloro-2-(chloromethyl)-1-(2-pyridin-2-ylethyl)benzimidazole
CID 104837353
4-chloro-2-(2-chloroethyl)-1-[(2,2-dimethylcyclopropyl)methyl]benzimidazole
CID 114109116

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole?
The IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole (CID 104837381) is 4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole is ClCCc1nc2c(Cl)cccc2n1CCc1ccccc1.
What is the InChIKey of 4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole?
The InChIKey is LOMWESUXSBGYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c18-11-9-16-20-17-14(19)7-4-8-15(17)21(16)12-10-13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of 4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole?
4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole has a molecular weight of 319.24 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 104837381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).