6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole

C15H20Cl2N2 — CID 113316375

IUPAC6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole
SMILESCCC(CC)C(C)n1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H20Cl2N2/c1-4-11(5-2)10(3)19-14-8-12(17)6-7-13(14)18-15(19)9-16/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyRSNMEVCGUMGCNU-UHFFFAOYSA-N
MW299.25 g/mol
LogP5.43
Rot. Bonds5

About 6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole

6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole (PubChem CID 113316375) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole
PubChem CID113316375
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC Name6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole
SMILESCCC(CC)C(C)n1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H20Cl2N2/c1-4-11(5-2)10(3)19-14-8-12(17)6-7-13(14)18-15(19)9-16/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyRSNMEVCGUMGCNU-UHFFFAOYSA-N
XLogP5.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

6-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 115471186
6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole
CID 113316350
6-chloro-2-(chloromethyl)-1-(1-methoxybutan-2-yl)benzimidazole
CID 113316386
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82950661
2-[1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole
CID 106389175
6-chloro-2-(chloromethyl)-1-[1-(2-methylphenyl)ethyl]benzimidazole
CID 115471272
2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473141
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 112758022
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
6-chloro-2-(2-chloroethyl)-1-(4-methylpentan-2-yl)benzimidazole
CID 113316284
5-chloro-2-(chloromethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104829067

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole (CID 113316375) is 6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole is CCC(CC)C(C)n1c(CCl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole?
The InChIKey is RSNMEVCGUMGCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c1-4-11(5-2)10(3)19-14-8-12(17)6-7-13(14)18-15(19)9-16/h6-8,10-11H,4-5,9H2,1-3H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole?
6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole has a molecular weight of 299.25 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole is sourced from PubChem (CID 113316375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).