N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine

C18H33N5 — CID 133108279

IUPACN-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine
SMILESCC1NNC(C)C1CCN(C)Cc1cnc(CC2CCCC2)[nH]1
InChIInChI=1S/C18H33N5/c1-13-17(14(2)22-21-13)8-9-23(3)12-16-11-19-18(20-16)10-15-6-4-5-7-15/h11,13-15,17,21-22H,4-10,12H2,1-3H3,(H,19,20)
InChIKeyZONSTDLGTQDFSL-UHFFFAOYSA-N
MW319.50 g/mol
LogP2.47
Rot. Bonds7

About N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine

N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine (PubChem CID 133108279) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine
PubChem CID133108279
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC NameN-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine
SMILESCC1NNC(C)C1CCN(C)Cc1cnc(CC2CCCC2)[nH]1
InChIInChI=1S/C18H33N5/c1-13-17(14(2)22-21-13)8-9-23(3)12-16-11-19-18(20-16)10-15-6-4-5-7-15/h11,13-15,17,21-22H,4-10,12H2,1-3H3,(H,19,20)
InChIKeyZONSTDLGTQDFSL-UHFFFAOYSA-N
XLogP2.47
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-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 N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine?
The IUPAC name of N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine (CID 133108279) is N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine.
What is the SMILES notation for N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine?
The canonical SMILES for N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine is CC1NNC(C)C1CCN(C)Cc1cnc(CC2CCCC2)[nH]1.
What is the InChIKey of N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine?
The InChIKey is ZONSTDLGTQDFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5/c1-13-17(14(2)22-21-13)8-9-23(3)12-16-11-19-18(20-16)10-15-6-4-5-7-15/h11,13-15,17,21-22H,4-10,12H2,1-3H3,(H,19,20).
What are the key properties of N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine?
N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine has a molecular weight of 319.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)-N-methylethanamine is sourced from PubChem (CID 133108279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).