2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine

C16H29N3S — CID 116504964

IUPAC2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCCSCCc1nc(C2CCCC2)n(CC(C)C)c1N
InChIInChI=1S/C16H29N3S/c1-4-20-10-9-14-15(17)19(11-12(2)3)16(18-14)13-7-5-6-8-13/h12-13H,4-11,17H2,1-3H3
InChIKeyBTEJKHCNEGJUCS-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.07
Rot. Bonds7

About 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine

2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 116504964) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine
PubChem CID116504964
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCCSCCc1nc(C2CCCC2)n(CC(C)C)c1N
InChIInChI=1S/C16H29N3S/c1-4-20-10-9-14-15(17)19(11-12(2)3)16(18-14)13-7-5-6-8-13/h12-13H,4-11,17H2,1-3H3
InChIKeyBTEJKHCNEGJUCS-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-5-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 62218612
5-cyclohexyl-2-cyclopentyl-3-(2-methylpropyl)imidazol-4-amine
CID 63467846
2-cyclopentyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
CID 62219183
2-cyclohexyl-5-(2,2-dimethylpropyl)-3-ethylimidazol-4-amine
CID 62966189
2-cyclohexyl-5-ethyl-3-prop-2-enylimidazol-4-amine
CID 62223842
2-cyclopropyl-3-ethyl-5-hexylimidazol-4-amine
CID 55048836
2-cyclopentyl-5-ethyl-3-propan-2-ylimidazol-4-amine
CID 62219181
2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine
CID 103090267
2-cyclopentyl-5-hexyl-3-propan-2-ylimidazol-4-amine
CID 62219186
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
2-cyclopentyl-5-ethyl-3-methylimidazol-4-amine
CID 62219518
2-cyclopropyl-5-(4-ethylphenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62220950

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine (CID 116504964) is 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine is CCSCCc1nc(C2CCCC2)n(CC(C)C)c1N.
What is the InChIKey of 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is BTEJKHCNEGJUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-4-20-10-9-14-15(17)19(11-12(2)3)16(18-14)13-7-5-6-8-13/h12-13H,4-11,17H2,1-3H3.
What are the key properties of 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine?
2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 295.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 116504964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).