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

C15H20Cl2N2 — CID 103463020

IUPAC7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole
SMILESCCC(C)(C)Cn1c(C(C)Cl)nc2cccc(Cl)c21
InChIInChI=1S/C15H20Cl2N2/c1-5-15(3,4)9-19-13-11(17)7-6-8-12(13)18-14(19)10(2)16/h6-8,10H,5,9H2,1-4H3
InChIKeyUYDMTUGOWNBFQB-UHFFFAOYSA-N
MW299.25 g/mol
LogP5.43
Rot. Bonds4

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

7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole (PubChem CID 103463020) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole
PubChem CID103463020
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC Name7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole
SMILESCCC(C)(C)Cn1c(C(C)Cl)nc2cccc(Cl)c21
InChIInChI=1S/C15H20Cl2N2/c1-5-15(3,4)9-19-13-11(17)7-6-8-12(13)18-14(19)10(2)16/h6-8,10H,5,9H2,1-4H3
InChIKeyUYDMTUGOWNBFQB-UHFFFAOYSA-N
XLogP5.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.25
LogP ≤ 55.43
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-dimethylpropyl)benzimidazole
CID 63544860
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
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-N-methylbutan-2-amine
CID 106004805
7-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959987
7-chloro-2-(1-chloroethyl)-1-(3-propoxypropyl)benzimidazole
CID 82944116
7-chloro-2-(1-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817174
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole (CID 103463020) is 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole is CCC(C)(C)Cn1c(C(C)Cl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole?
The InChIKey is UYDMTUGOWNBFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c1-5-15(3,4)9-19-13-11(17)7-6-8-12(13)18-14(19)10(2)16/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole?
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylbutyl)benzimidazole has a molecular weight of 299.25 g/mol, XLogP of 5.43, 4 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-dimethylbutyl)benzimidazole is sourced from PubChem (CID 103463020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).