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

C16H20BrN3 — CID 106566874

IUPACN-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine
SMILESCC(Nc1nccn1C1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrN3/c1-12(13-6-8-14(17)9-7-13)19-16-18-10-11-20(16)15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,18,19)
InChIKeyHJSBTGBCGBWPKO-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.93
Rot. Bonds4

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

N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine (PubChem CID 106566874) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine
PubChem CID106566874
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine
SMILESCC(Nc1nccn1C1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrN3/c1-12(13-6-8-14(17)9-7-13)19-16-18-10-11-20(16)15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,18,19)
InChIKeyHJSBTGBCGBWPKO-UHFFFAOYSA-N
XLogP4.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[1-(3-fluorophenyl)ethyl]imidazol-2-amine
CID 106567027
N-[1-(4-bromophenyl)ethyl]-1-methylimidazol-2-amine
CID 62133310
N-(4-bromophenyl)-1-cyclohexylimidazol-2-amine
CID 106558625
1-cyclohexyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554339
N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine
CID 106566925
1-cyclohexyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561711
1-cyclopentyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazol-2-amine
CID 106566619
1-cyclohexyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574874
1-cyclopentyl-N-(2,3-dimethylbutyl)imidazol-2-amine
CID 106575250
1-cyclohexyl-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106554635
1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine
CID 106566865
1-cyclopentyl-N-(2,6-dibromophenyl)imidazol-2-amine
CID 107605114

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine (CID 106566874) is N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine is CC(Nc1nccn1C1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine?
The InChIKey is HJSBTGBCGBWPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-12(13-6-8-14(17)9-7-13)19-16-18-10-11-20(16)15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine?
N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine is sourced from PubChem (CID 106566874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).