4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine

C11H18BrN3 — CID 117189625

IUPAC4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1cc(Br)nc1NC1CCCC1
InChIInChI=1S/C11H18BrN3/c1-8(2)15-7-10(12)14-11(15)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyCFGVHKBEHSZCNO-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.58
Rot. Bonds3

About 4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine

4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine (PubChem CID 117189625) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine
PubChem CID117189625
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1cc(Br)nc1NC1CCCC1
InChIInChI=1S/C11H18BrN3/c1-8(2)15-7-10(12)14-11(15)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyCFGVHKBEHSZCNO-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554830
4-methyl-N-(4-methylcyclohexyl)-1-propan-2-ylimidazol-2-amine
CID 106560158
1-(1-cyclohexylethyl)-N-cyclopropyl-4-methylimidazol-2-amine
CID 106571292
N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine
CID 106572754
N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine
CID 106568675
N-cyclopentyl-1-hexan-2-yl-4-methylimidazol-2-amine
CID 106569752
N-cyclohexyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574761
1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine
CID 117189663
1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine
CID 106566865
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
3-(cycloheptylamino)-1-propan-2-ylpyrazin-2-one
CID 62939319
N-cyclohexyl-4-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106570476

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine?
The IUPAC name of 4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine (CID 117189625) is 4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for 4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine is CC(C)n1cc(Br)nc1NC1CCCC1.
What is the InChIKey of 4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine?
The InChIKey is CFGVHKBEHSZCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8(2)15-7-10(12)14-11(15)13-9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine?
4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine has a molecular weight of 272.19 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 117189625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).