5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane

C17H28BrN3 — CID 142136566

IUPAC5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane
SMILESCCC(C)C.Cc1c(C2=NCCN2)cc(Br)cc1N(C)C
InChIInChI=1S/C12H16BrN3.C5H12/c1-8-10(12-14-4-5-15-12)6-9(13)7-11(8)16(2)3;1-4-5(2)3/h6-7H,4-5H2,1-3H3,(H,14,15);5H,4H2,1-3H3
InChIKeyRLIWDALBYNZCBT-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.23
Rot. Bonds3

About 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane

5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane (PubChem CID 142136566) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane.

Molecular Properties

Compound Name5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane
PubChem CID142136566
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane
SMILESCCC(C)C.Cc1c(C2=NCCN2)cc(Br)cc1N(C)C
InChIInChI=1S/C12H16BrN3.C5H12/c1-8-10(12-14-4-5-15-12)6-9(13)7-11(8)16(2)3;1-4-5(2)3/h6-7H,4-5H2,1-3H3,(H,14,15);5H,4H2,1-3H3
InChIKeyRLIWDALBYNZCBT-UHFFFAOYSA-N
XLogP4.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane?
The IUPAC name of 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane (CID 142136566) is 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane.
What is the SMILES notation for 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane?
The canonical SMILES for 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane is CCC(C)C.Cc1c(C2=NCCN2)cc(Br)cc1N(C)C.
What is the InChIKey of 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane?
The InChIKey is RLIWDALBYNZCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3.C5H12/c1-8-10(12-14-4-5-15-12)6-9(13)7-11(8)16(2)3;1-4-5(2)3/h6-7H,4-5H2,1-3H3,(H,14,15);5H,4H2,1-3H3.
What are the key properties of 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane?
5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane has a molecular weight of 354.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N,2-trimethylaniline;2-methylbutane is sourced from PubChem (CID 142136566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).