1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine

C21H30N6 — CID 119150752

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
SMILESC/N=C(\NCc1ncc(-c2ccccc2)[nH]1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C21H30N6/c1-22-21(25-17-11-12-27(15-17)18-9-5-6-10-18)24-14-20-23-13-19(26-20)16-7-3-2-4-8-16/h2-4,7-8,13,17-18H,5-6,9-12,14-15H2,1H3,(H,23,26)(H2,22,24,25)
InChIKeyGQNYZCGJNXQBNR-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.76
Rot. Bonds5

About 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine (PubChem CID 119150752) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
PubChem CID119150752
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
SMILESC/N=C(\NCc1ncc(-c2ccccc2)[nH]1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C21H30N6/c1-22-21(25-17-11-12-27(15-17)18-9-5-6-10-18)24-14-20-23-13-19(26-20)16-7-3-2-4-8-16/h2-4,7-8,13,17-18H,5-6,9-12,14-15H2,1H3,(H,23,26)(H2,22,24,25)
InChIKeyGQNYZCGJNXQBNR-UHFFFAOYSA-N
XLogP2.76
TPSA68.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine 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

1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 119150295
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111921194
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119150732
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 109440100
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119150641
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 119157142
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119150712
N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111918331
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylguanidine
CID 111920137
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918947
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111918546
tert-butyl N-[1-[N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730593

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine (CID 119150752) is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine is C/N=C(\NCc1ncc(-c2ccccc2)[nH]1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The InChIKey is GQNYZCGJNXQBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-22-21(25-17-11-12-27(15-17)18-9-5-6-10-18)24-14-20-23-13-19(26-20)16-7-3-2-4-8-16/h2-4,7-8,13,17-18H,5-6,9-12,14-15H2,1H3,(H,23,26)(H2,22,24,25).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine has a molecular weight of 366.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine is sourced from PubChem (CID 119150752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).