1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine

C17H22BrN3 — CID 106566865

IUPAC1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine
SMILESCC(c1ccc(Br)cc1)n1ccnc1NC1CCCCC1
InChIInChI=1S/C17H22BrN3/c1-13(14-7-9-15(18)10-8-14)21-12-11-19-17(21)20-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,19,20)
InChIKeyLOSQOVPYSIGCPW-UHFFFAOYSA-N
MW348.29 g/mol
LogP5.00
Rot. Bonds4

About 1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine

1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine (PubChem CID 106566865) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine
PubChem CID106566865
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine
SMILESCC(c1ccc(Br)cc1)n1ccnc1NC1CCCCC1
InChIInChI=1S/C17H22BrN3/c1-13(14-7-9-15(18)10-8-14)21-12-11-19-17(21)20-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,19,20)
InChIKeyLOSQOVPYSIGCPW-UHFFFAOYSA-N
XLogP5.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
CID 106565810
N-cyclopentyl-1-pentan-3-ylimidazol-2-amine
CID 106555020
N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine
CID 106566874
N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine
CID 106582432
N-(1-propan-2-ylimidazol-2-yl)piperidin-4-amine
CID 115026071
N-cyclohexyl-1-methylimidazol-2-amine
CID 57183550
3-(cycloheptylamino)-1-propan-2-ylpyrazin-2-one
CID 62939319
1-[1-(4-bromophenyl)ethyl]-2-(fluoromethyl)imidazole
CID 171801244
N-cyclohexyl-1-(2-phenylpropyl)imidazol-2-amine
CID 106581023
4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine
CID 117189625
N-(1-cyclopentylethyl)-1-propan-2-ylimidazol-2-amine
CID 106573564
N-cyclopropyl-1-(2-propan-2-ylcyclohexyl)imidazol-2-amine
CID 106579250

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine (CID 106566865) is 1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine is CC(c1ccc(Br)cc1)n1ccnc1NC1CCCCC1.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
The InChIKey is LOSQOVPYSIGCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-13(14-7-9-15(18)10-8-14)21-12-11-19-17(21)20-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,19,20).
What are the key properties of 1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine has a molecular weight of 348.29 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine is sourced from PubChem (CID 106566865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).