5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole

C17H24Cl2N2 — CID 107817122

IUPAC5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
SMILESCCCCC(CC)Cn1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C17H24Cl2N2/c1-3-5-6-13(4-2)12-21-16-8-7-14(19)11-15(16)20-17(21)9-10-18/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKeyVNEKXBCYFCMGAW-UHFFFAOYSA-N
MW327.30 g/mol
LogP5.69
Rot. Bonds8

About 5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole

5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole (PubChem CID 107817122) has the molecular formula C17H24Cl2N2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
PubChem CID107817122
Molecular FormulaC17H24Cl2N2
Molecular Weight327.30 g/mol
Exact Mass326.13
IUPAC Name5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
SMILESCCCCC(CC)Cn1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C17H24Cl2N2/c1-3-5-6-13(4-2)12-21-16-8-7-14(19)11-15(16)20-17(21)9-10-18/h7-8,11,13H,3-6,9-10,12H2,1-2H3
InChIKeyVNEKXBCYFCMGAW-UHFFFAOYSA-N
XLogP5.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.30
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

5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817166
4-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817172
6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine
CID 107816969
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 115471463
2-(chloromethyl)-1-(2-ethylhexyl)-6,7-difluorobenzimidazole
CID 107817185
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496
2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine
CID 107817140
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
CID 113450562
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
2-[6-(2-aminoethyl)-9-(2-ethylhexyl)carbazol-3-yl]ethanamine
CID 170887976
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole (CID 107817122) is 5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole is CCCCC(CC)Cn1c(CCCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole?
The InChIKey is VNEKXBCYFCMGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2/c1-3-5-6-13(4-2)12-21-16-8-7-14(19)11-15(16)20-17(21)9-10-18/h7-8,11,13H,3-6,9-10,12H2,1-2H3.
What are the key properties of 5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole?
5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole has a molecular weight of 327.30 g/mol, XLogP of 5.69, 8 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-(2-ethylhexyl)benzimidazole is sourced from PubChem (CID 107817122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).