5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole

C17H16BrClN2 — CID 43666409

IUPAC5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1CCc1ccccc1
InChIInChI=1S/C17H16BrClN2/c18-14-6-7-16-15(12-14)20-17(8-10-19)21(16)11-9-13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyYCYOIPIXGZNRRX-UHFFFAOYSA-N
MW363.69 g/mol
LogP4.82
Rot. Bonds5

About 5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole

5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole (PubChem CID 43666409) has the molecular formula C17H16BrClN2 and a molecular weight of 363.69 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
PubChem CID43666409
Molecular FormulaC17H16BrClN2
Molecular Weight363.69 g/mol
Exact Mass362.02
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1CCc1ccccc1
InChIInChI=1S/C17H16BrClN2/c18-14-6-7-16-15(12-14)20-17(8-10-19)21(16)11-9-13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyYCYOIPIXGZNRRX-UHFFFAOYSA-N
XLogP4.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.69
LogP ≤ 54.82
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

5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
5-bromo-2-(2-chloroethyl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 63330507
5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole
CID 43666644
5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole
CID 43666246
5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43666524
5-bromo-2-(chloromethyl)-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79754736
N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
CID 43667678
5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 60902566
5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106897013
4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 104837381
5-bromo-2-(2-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62990728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole (CID 43666409) is 5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole is ClCCc1nc2cc(Br)ccc2n1CCc1ccccc1.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole?
The InChIKey is YCYOIPIXGZNRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2/c18-14-6-7-16-15(12-14)20-17(8-10-19)21(16)11-9-13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole?
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole has a molecular weight of 363.69 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 43666409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).