1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine

C21H32N6 — CID 111919331

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1nc2ccccc2n1C)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C21H32N6/c1-3-22-21(24-16-12-13-27(15-16)17-8-4-5-9-17)23-14-20-25-18-10-6-7-11-19(18)26(20)2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H2,22,23,24)
InChIKeySDRICWPETQNMIU-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.65
Rot. Bonds5

About 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine

1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine (PubChem CID 111919331) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine
PubChem CID111919331
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1nc2ccccc2n1C)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C21H32N6/c1-3-22-21(24-16-12-13-27(15-16)17-8-4-5-9-17)23-14-20-25-18-10-6-7-11-19(18)26(20)2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H2,22,23,24)
InChIKeySDRICWPETQNMIU-UHFFFAOYSA-N
XLogP2.65
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
CID 111918453
ethyl 4-[[N-ethyl-N'-[(1-methylbenzimidazol-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328765
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
CID 111918747
1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111920170
1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(difluoromethoxy)phenyl]methyl]-3-ethylguanidine
CID 111919791
1-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929027
2-[(4-cyanophenyl)methyl]-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
CID 111919943
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111918812
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[[4-(propan-2-yloxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111918998
3-[[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111919954
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[[2-(methanesulfonamido)phenyl]methyl]guanidine;hydroiodide
CID 111918790
2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide
CID 111918994

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine (CID 111919331) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine is CCN/C(=N\Cc1nc2ccccc2n1C)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine?
The InChIKey is SDRICWPETQNMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-3-22-21(24-16-12-13-27(15-16)17-8-4-5-9-17)23-14-20-25-18-10-6-7-11-19(18)26(20)2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine has a molecular weight of 368.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine is sourced from PubChem (CID 111919331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).