2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine

C16H22N4 — CID 62221526

IUPAC2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine
SMILESCC(C)n1c(C2CCCC2)nc(-c2cccnc2)c1N
InChIInChI=1S/C16H22N4/c1-11(2)20-15(17)14(13-8-5-9-18-10-13)19-16(20)12-6-3-4-7-12/h5,8-12H,3-4,6-7,17H2,1-2H3
InChIKeyDKZHZXNAOJOORI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.77
Rot. Bonds3

About 2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine

2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine (PubChem CID 62221526) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine
PubChem CID62221526
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine
SMILESCC(C)n1c(C2CCCC2)nc(-c2cccnc2)c1N
InChIInChI=1S/C16H22N4/c1-11(2)20-15(17)14(13-8-5-9-18-10-13)19-16(20)12-6-3-4-7-12/h5,8-12H,3-4,6-7,17H2,1-2H3
InChIKeyDKZHZXNAOJOORI-UHFFFAOYSA-N
XLogP3.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine?
The IUPAC name of 2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine (CID 62221526) is 2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine.
What is the SMILES notation for 2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine?
The canonical SMILES for 2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine is CC(C)n1c(C2CCCC2)nc(-c2cccnc2)c1N.
What is the InChIKey of 2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine?
The InChIKey is DKZHZXNAOJOORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)20-15(17)14(13-8-5-9-18-10-13)19-16(20)12-6-3-4-7-12/h5,8-12H,3-4,6-7,17H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine?
2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine has a molecular weight of 270.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-propan-2-yl-5-pyridin-3-ylimidazol-4-amine is sourced from PubChem (CID 62221526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).