5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole

C15H20BrClN2 — CID 63545579

IUPAC5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
SMILESCCC(C)C(C)n1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C15H20BrClN2/c1-4-10(2)11(3)19-14-6-5-12(16)9-13(14)18-15(19)7-8-17/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyWCCGGLGIXGNTHC-UHFFFAOYSA-N
MW343.70 g/mol
LogP5.19
Rot. Bonds5

About 5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole

5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole (PubChem CID 63545579) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
PubChem CID63545579
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
SMILESCCC(C)C(C)n1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C15H20BrClN2/c1-4-10(2)11(3)19-14-6-5-12(16)9-13(14)18-15(19)7-8-17/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyWCCGGLGIXGNTHC-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.70
LogP ≤ 55.19
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-1-(3-methylpentan-2-yl)benzimidazol-2-amine
CID 54950603
5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 63926124
5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
CID 43666604
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
5-bromo-2-(chloromethyl)-1-(1-methoxypropan-2-yl)benzimidazole
CID 43660026
2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79294516
1-butan-2-yl-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 43666323
5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817166
2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 65346330
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 60783637
5-bromo-2-(chloromethyl)-1-(2,3-dimethylbutyl)benzimidazole
CID 64597396
6-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 115471186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole (CID 63545579) is 5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole is CCC(C)C(C)n1c(CCCl)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole?
The InChIKey is WCCGGLGIXGNTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c1-4-10(2)11(3)19-14-6-5-12(16)9-13(14)18-15(19)7-8-17/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole?
5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole has a molecular weight of 343.70 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole is sourced from PubChem (CID 63545579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).