6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole

C15H20BrClN2 — CID 65346159

IUPAC6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
SMILESCC(C)CCC(C)n1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H20BrClN2/c1-10(2)4-5-11(3)19-14-8-12(16)6-7-13(14)18-15(19)9-17/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyJFJYBNKIGYUXEF-UHFFFAOYSA-N
MW343.70 g/mol
LogP5.53
Rot. Bonds5

About 6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole

6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole (PubChem CID 65346159) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
PubChem CID65346159
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC Name6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
SMILESCC(C)CCC(C)n1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H20BrClN2/c1-10(2)4-5-11(3)19-14-8-12(16)6-7-13(14)18-15(19)9-17/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyJFJYBNKIGYUXEF-UHFFFAOYSA-N
XLogP5.53
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 ≤ 55.53
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

3-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346458
5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 63926124
6-bromo-2-(chloromethyl)-1-(1-piperidin-1-ylpropan-2-yl)benzimidazole
CID 65346599
3-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346460
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine
CID 79302058
2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 65346330
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 65346044
6-bromo-2-(chloromethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 65346411
5-bromo-2-(chloromethyl)-1-(1-methoxypropan-2-yl)benzimidazole
CID 43660026
6-bromo-2-(1-chloroethyl)-1-pentan-2-ylbenzimidazole
CID 65345209
[6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol
CID 22349334

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole (CID 65346159) is 6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole is CC(C)CCC(C)n1c(CCl)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole?
The InChIKey is JFJYBNKIGYUXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c1-10(2)4-5-11(3)19-14-8-12(16)6-7-13(14)18-15(19)9-17/h6-8,10-11H,4-5,9H2,1-3H3.
What are the key properties of 6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole?
6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole has a molecular weight of 343.70 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole is sourced from PubChem (CID 65346159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).