2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine

C15H20BrN3 — CID 114708183

IUPAC2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C(C)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-11(12-5-7-13(16)8-6-12)19-10-18-9-14(19)15(2,3)17-4/h5-11,17H,1-4H3
InChIKeyCHQVXTARRZFIII-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.71
Rot. Bonds4

About 2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine

2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708183) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708183
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C(C)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-11(12-5-7-13(16)8-6-12)19-10-18-9-14(19)15(2,3)17-4/h5-11,17H,1-4H3
InChIKeyCHQVXTARRZFIII-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708364
N-methyl-2-(3-propan-2-ylimidazol-4-yl)propan-2-amine
CID 114708057
2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708092
N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine
CID 114708037
N-methyl-2-[3-(1-methylsulfanylpropan-2-yl)imidazol-4-yl]propan-2-amine
CID 114708459
N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine
CID 114708442
2-[3-(2,5-dibromophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708174
2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol
CID 114705010
N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine
CID 114708451
2-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]propan-2-amine
CID 114705741
4-[1-(4-bromophenyl)ethyl]-3-chloro-1,2,4-triazole
CID 63389342
N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708450

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine (CID 114708183) is 2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1C(C)c1ccc(Br)cc1.
What is the InChIKey of 2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is CHQVXTARRZFIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-11(12-5-7-13(16)8-6-12)19-10-18-9-14(19)15(2,3)17-4/h5-11,17H,1-4H3.
What are the key properties of 2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).