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

C15H21BrClN3 — CID 65346141

IUPAC1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
SMILESCC(Cl)c1nc2ccc(Br)cc2n1CC(C)(C)N(C)C
InChIInChI=1S/C15H21BrClN3/c1-10(17)14-18-12-7-6-11(16)8-13(12)20(14)9-15(2,3)19(4)5/h6-8,10H,9H2,1-5H3
InChIKeyMJNBHANDHQURLT-UHFFFAOYSA-N
MW358.71 g/mol
LogP4.44
Rot. Bonds4

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

1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine (PubChem CID 65346141) has the molecular formula C15H21BrClN3 and a molecular weight of 358.71 g/mol. Its IUPAC name is 1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
PubChem CID65346141
Molecular FormulaC15H21BrClN3
Molecular Weight358.71 g/mol
Exact Mass357.06
IUPAC Name1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
SMILESCC(Cl)c1nc2ccc(Br)cc2n1CC(C)(C)N(C)C
InChIInChI=1S/C15H21BrClN3/c1-10(17)14-18-12-7-6-11(16)8-13(12)20(14)9-15(2,3)19(4)5/h6-8,10H,9H2,1-5H3
InChIKeyMJNBHANDHQURLT-UHFFFAOYSA-N
XLogP4.44
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.71
LogP ≤ 54.44
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

1-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346142
2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylacetamide
CID 65345135
4-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346195
6-bromo-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 115326631
6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65345047
2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 115357062
6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65346717
6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479145
5-[[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 65346238
6-bromo-2-(1-chloroethyl)-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 82873445
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 79300872

Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine (CID 65346141) is 1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine is CC(Cl)c1nc2ccc(Br)cc2n1CC(C)(C)N(C)C.
What is the InChIKey of 1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The InChIKey is MJNBHANDHQURLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN3/c1-10(17)14-18-12-7-6-11(16)8-13(12)20(14)9-15(2,3)19(4)5/h6-8,10H,9H2,1-5H3.
What are the key properties of 1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine has a molecular weight of 358.71 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 65346141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).