2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole

C17H16ClFN2 — CID 43666246

IUPAC2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole
SMILESFc1ccc(CCn2c(CCCl)nc3ccccc32)cc1
InChIInChI=1S/C17H16ClFN2/c18-11-9-17-20-15-3-1-2-4-16(15)21(17)12-10-13-5-7-14(19)8-6-13/h1-8H,9-12H2
InChIKeyLOUWMXPREXLJBK-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.20
Rot. Bonds5

About 2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole

2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole (PubChem CID 43666246) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole
PubChem CID43666246
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole
SMILESFc1ccc(CCn2c(CCCl)nc3ccccc32)cc1
InChIInChI=1S/C17H16ClFN2/c18-11-9-17-20-15-3-1-2-4-16(15)21(17)12-10-13-5-7-14(19)8-6-13/h1-8H,9-12H2
InChIKeyLOUWMXPREXLJBK-UHFFFAOYSA-N
XLogP4.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.20
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

2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 43666409
2-(2-chloroethyl)-5-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazole
CID 80685395
2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 43666287
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
2-(chloromethyl)-1-[2-(4-chlorophenyl)ethyl]-6-fluorobenzimidazole
CID 63545395
5-[2-[2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407134
4-[2-[2-(2-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326564
4-[2-[2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 106037000
5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 60902566
2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole
CID 63246452
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole (CID 43666246) is 2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole is Fc1ccc(CCn2c(CCCl)nc3ccccc32)cc1.
What is the InChIKey of 2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole?
The InChIKey is LOUWMXPREXLJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c18-11-9-17-20-15-3-1-2-4-16(15)21(17)12-10-13-5-7-14(19)8-6-13/h1-8H,9-12H2.
What are the key properties of 2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole?
2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole has a molecular weight of 302.78 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole is sourced from PubChem (CID 43666246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).