N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine

C16H22BrN3 — CID 106564464

IUPACN-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3/c1-4-5-9-20-11-12(2)18-16(20)19-13(3)14-7-6-8-15(17)10-14/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyBSQIABLMZRWSCG-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.93
Rot. Bonds6

About N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine

N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine (PubChem CID 106564464) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine
PubChem CID106564464
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3/c1-4-5-9-20-11-12(2)18-16(20)19-13(3)14-7-6-8-15(17)10-14/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyBSQIABLMZRWSCG-UHFFFAOYSA-N
XLogP4.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106565809
N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106566702
4-methyl-1-propyl-N-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 106570913
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575161
1-ethyl-4-methyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562046
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
(1S)-1-(3-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81376018
1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560922
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine (CID 106564464) is N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine is CCCCn1cc(C)nc1NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine?
The InChIKey is BSQIABLMZRWSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-4-5-9-20-11-12(2)18-16(20)19-13(3)14-7-6-8-15(17)10-14/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine?
N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine has a molecular weight of 336.28 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106564464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).