2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine

C16H23BrClN3 — CID 65346330

IUPAC2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(C)n1c(CCCl)nc2ccc(Br)cc21
InChIInChI=1S/C16H23BrClN3/c1-4-20(5-2)11-12(3)21-15-10-13(17)6-7-14(15)19-16(21)8-9-18/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyQOGQDILLUXSNSO-UHFFFAOYSA-N
MW372.74 g/mol
LogP4.48
Rot. Bonds7

About 2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine

2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine (PubChem CID 65346330) has the molecular formula C16H23BrClN3 and a molecular weight of 372.74 g/mol. Its IUPAC name is 2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
PubChem CID65346330
Molecular FormulaC16H23BrClN3
Molecular Weight372.74 g/mol
Exact Mass371.08
IUPAC Name2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(C)n1c(CCCl)nc2ccc(Br)cc21
InChIInChI=1S/C16H23BrClN3/c1-4-20(5-2)11-12(3)21-15-10-13(17)6-7-14(15)19-16(21)8-9-18/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyQOGQDILLUXSNSO-UHFFFAOYSA-N
XLogP4.48
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.74
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346460
5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 63926124
6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 65346159
2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82950751
1-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346142
3-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346458
5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545579
6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole
CID 65344548
6-chloro-2-(2-chloroethyl)-1-(4-methylpentan-2-yl)benzimidazole
CID 113316284
6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole
CID 115471350
2-(2-chloroethyl)-6-fluoro-1-(6-methylheptan-2-yl)benzimidazole
CID 63547183
6-bromo-2-(chloromethyl)-1-(1-piperidin-1-ylpropan-2-yl)benzimidazole
CID 65346599

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine (CID 65346330) is 2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine is CCN(CC)CC(C)n1c(CCCl)nc2ccc(Br)cc21.
What is the InChIKey of 2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine?
The InChIKey is QOGQDILLUXSNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN3/c1-4-20(5-2)11-12(3)21-15-10-13(17)6-7-14(15)19-16(21)8-9-18/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine?
2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine has a molecular weight of 372.74 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 65346330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).