3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine

C17H23N3 — CID 62220469

IUPAC3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine
SMILESCCc1nc(C2CCCC2)c(N)n1Cc1ccccc1
InChIInChI=1S/C17H23N3/c1-2-15-19-16(14-10-6-7-11-14)17(18)20(15)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12,18H2,1H3
InChIKeyRWHPKDBLXSVUCA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.73
Rot. Bonds4

About 3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine

3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine (PubChem CID 62220469) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine
PubChem CID62220469
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine
SMILESCCc1nc(C2CCCC2)c(N)n1Cc1ccccc1
InChIInChI=1S/C17H23N3/c1-2-15-19-16(14-10-6-7-11-14)17(18)20(15)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12,18H2,1H3
InChIKeyRWHPKDBLXSVUCA-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine?
The IUPAC name of 3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine (CID 62220469) is 3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine.
What is the SMILES notation for 3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine?
The canonical SMILES for 3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine is CCc1nc(C2CCCC2)c(N)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine?
The InChIKey is RWHPKDBLXSVUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-15-19-16(14-10-6-7-11-14)17(18)20(15)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12,18H2,1H3.
What are the key properties of 3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine?
3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine is sourced from PubChem (CID 62220469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).