7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole

C14H18Cl2N2 — CID 63544860

IUPAC7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CC(C)(C)C
InChIInChI=1S/C14H18Cl2N2/c1-9(15)13-17-11-7-5-6-10(16)12(11)18(13)8-14(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyOBZHFLLLPVBMOF-UHFFFAOYSA-N
MW285.22 g/mol
LogP5.04
Rot. Bonds2

About 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole

7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole (PubChem CID 63544860) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
PubChem CID63544860
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CC(C)(C)C
InChIInChI=1S/C14H18Cl2N2/c1-9(15)13-17-11-7-5-6-10(16)12(11)18(13)8-14(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyOBZHFLLLPVBMOF-UHFFFAOYSA-N
XLogP5.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.22
LogP ≤ 55.04
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

7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole
CID 103463020
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 55221624
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
CID 43666215
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
7-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959987
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-N-methylbutan-2-amine
CID 106004805
4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine
CID 43666388
7-chloro-2-(1-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817174

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole (CID 63544860) is 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole is CC(Cl)c1nc2cccc(Cl)c2n1CC(C)(C)C.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole?
The InChIKey is OBZHFLLLPVBMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-9(15)13-17-11-7-5-6-10(16)12(11)18(13)8-14(2,3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole?
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole has a molecular weight of 285.22 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole is sourced from PubChem (CID 63544860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).