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

C16H22BrN3 — CID 66149676

IUPACN-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(c1cccc(Br)c1)n1cncc1CNC(C)(C)C
InChIInChI=1S/C16H22BrN3/c1-12(13-6-5-7-14(17)8-13)20-11-18-9-15(20)10-19-16(2,3)4/h5-9,11-12,19H,10H2,1-4H3
InChIKeyDLMICAZDIHJSTR-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.14
Rot. Bonds4

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

N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66149676) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66149676
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC NameN-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(c1cccc(Br)c1)n1cncc1CNC(C)(C)C
InChIInChI=1S/C16H22BrN3/c1-12(13-6-5-7-14(17)8-13)20-11-18-9-15(20)10-19-16(2,3)4/h5-9,11-12,19H,10H2,1-4H3
InChIKeyDLMICAZDIHJSTR-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66149926
N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147784
N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147536
N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149670
N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
CID 19841742
N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
CID 66148577
2-methyl-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66148627
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237
N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine
CID 106323819
(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81363404
1-(3-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113247038
2-methyl-N-[[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66146334

Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66149676) is N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(c1cccc(Br)c1)n1cncc1CNC(C)(C)C.
What is the InChIKey of N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DLMICAZDIHJSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-12(13-6-5-7-14(17)8-13)20-11-18-9-15(20)10-19-16(2,3)4/h5-9,11-12,19H,10H2,1-4H3.
What are the key properties of N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 336.28 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66149676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).