5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole

C14H18Cl2N2 — CID 43666604

IUPAC5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
SMILESCC(C)C(C)n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18Cl2N2/c1-9(2)10(3)18-13-5-4-11(16)8-12(13)17-14(18)6-7-15/h4-5,8-10H,6-7H2,1-3H3
InChIKeyANILIXOKZCJZRF-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.69
Rot. Bonds4

About 5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole

5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole (PubChem CID 43666604) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
PubChem CID43666604
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
SMILESCC(C)C(C)n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18Cl2N2/c1-9(2)10(3)18-13-5-4-11(16)8-12(13)17-14(18)6-7-15/h4-5,8-10H,6-7H2,1-3H3
InChIKeyANILIXOKZCJZRF-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.69
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

2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
2-(2-chloroethyl)-5,6-dimethoxy-1-(3-methylbutan-2-yl)benzimidazole
CID 83003668
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 83868113
5-chloro-2-(2-chloroethyl)-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 62119224
5-chloro-2-(chloromethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104829067
2-(2-chloroethyl)-6,7-difluoro-1-(3-methylbutan-2-yl)benzimidazole
CID 62532235
6-chloro-2-(2-chloroethyl)-1-(4-methylpentan-2-yl)benzimidazole
CID 113316284
5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545579
5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
CID 113450562
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 55105214
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole (CID 43666604) is 5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole is CC(C)C(C)n1c(CCCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole?
The InChIKey is ANILIXOKZCJZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-9(2)10(3)18-13-5-4-11(16)8-12(13)17-14(18)6-7-15/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole?
5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole has a molecular weight of 285.22 g/mol, XLogP of 4.69, 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-(3-methylbutan-2-yl)benzimidazole is sourced from PubChem (CID 43666604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).