2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine

C16H28ClN5 — CID 84744809

IUPAC2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine
SMILESCNCC(c1c(Cl)ncn1C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H28ClN5/c1-18-11-14(15-16(17)19-12-20(15)2)22-9-7-21(8-10-22)13-5-3-4-6-13/h12-14,18H,3-11H2,1-2H3
InChIKeyGYZRPAOYVZVFAK-UHFFFAOYSA-N
MW325.89 g/mol
LogP1.89
Rot. Bonds5

About 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine

2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine (PubChem CID 84744809) has the molecular formula C16H28ClN5 and a molecular weight of 325.89 g/mol. Its IUPAC name is 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine
PubChem CID84744809
Molecular FormulaC16H28ClN5
Molecular Weight325.89 g/mol
Exact Mass325.20
IUPAC Name2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine
SMILESCNCC(c1c(Cl)ncn1C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H28ClN5/c1-18-11-14(15-16(17)19-12-20(15)2)22-9-7-21(8-10-22)13-5-3-4-6-13/h12-14,18H,3-11H2,1-2H3
InChIKeyGYZRPAOYVZVFAK-UHFFFAOYSA-N
XLogP1.89
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.89
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine (CID 84744809) is 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine is CNCC(c1c(Cl)ncn1C)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine?
The InChIKey is GYZRPAOYVZVFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN5/c1-18-11-14(15-16(17)19-12-20(15)2)22-9-7-21(8-10-22)13-5-3-4-6-13/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine?
2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine has a molecular weight of 325.89 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine is sourced from PubChem (CID 84744809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).