5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole

C17H16Cl2N2 — CID 43666944

IUPAC5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole
SMILESCCc1ccc(-n2c(CCCl)nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H16Cl2N2/c1-2-12-3-6-14(7-4-12)21-16-8-5-13(19)11-15(16)20-17(21)9-10-18/h3-8,11H,2,9-10H2,1H3
InChIKeyMYJQIQKVCKCYBI-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.02
Rot. Bonds4

About 5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole

5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole (PubChem CID 43666944) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole
PubChem CID43666944
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole
SMILESCCc1ccc(-n2c(CCCl)nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H16Cl2N2/c1-2-12-3-6-14(7-4-12)21-16-8-5-13(19)11-15(16)20-17(21)9-10-18/h3-8,11H,2,9-10H2,1H3
InChIKeyMYJQIQKVCKCYBI-UHFFFAOYSA-N
XLogP5.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.02
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)-1-(4-ethylphenyl)-5-methylbenzimidazole
CID 43666954
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727
1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
CID 63496681
5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
CID 43667207
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
5-chloro-2-(2-chloroethyl)-1-(1-methylpyrazol-3-yl)benzimidazole
CID 79778423
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
CID 43666862
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
4-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]benzonitrile
CID 115470947
5-chloro-2-(2-chloroethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
CID 66252376
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole (CID 43666944) is 5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole is CCc1ccc(-n2c(CCCl)nc3cc(Cl)ccc32)cc1.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole?
The InChIKey is MYJQIQKVCKCYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-2-12-3-6-14(7-4-12)21-16-8-5-13(19)11-15(16)20-17(21)9-10-18/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole?
5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole has a molecular weight of 319.24 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole is sourced from PubChem (CID 43666944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).