2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine

C19H22N4O — CID 110915327

IUPAC2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine
SMILESN/C(=N\Cc1cccc(CN2CCCC2=O)c1)Nc1ccccc1
InChIInChI=1S/C19H22N4O/c20-19(22-17-8-2-1-3-9-17)21-13-15-6-4-7-16(12-15)14-23-11-5-10-18(23)24/h1-4,6-9,12H,5,10-11,13-14H2,(H3,20,21,22)
InChIKeyLEUIQLZVPNWRFN-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.74
Rot. Bonds5

About 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine

2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine (PubChem CID 110915327) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine
PubChem CID110915327
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine
SMILESN/C(=N\Cc1cccc(CN2CCCC2=O)c1)Nc1ccccc1
InChIInChI=1S/C19H22N4O/c20-19(22-17-8-2-1-3-9-17)21-13-15-6-4-7-16(12-15)14-23-11-5-10-18(23)24/h1-4,6-9,12H,5,10-11,13-14H2,(H3,20,21,22)
InChIKeyLEUIQLZVPNWRFN-UHFFFAOYSA-N
XLogP2.74
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
CID 111052747
2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119118514
N'-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111052786
1-(4-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052504
1,3-diethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915316
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111598539
1-(4-ethylphenyl)-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111052619
1-(3,4-dimethylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052492
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052528
1-(3,4-dimethylphenyl)-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111052599
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 109417311
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine?
The IUPAC name of 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine (CID 110915327) is 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine?
The canonical SMILES for 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine is N/C(=N\Cc1cccc(CN2CCCC2=O)c1)Nc1ccccc1.
What is the InChIKey of 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine?
The InChIKey is LEUIQLZVPNWRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c20-19(22-17-8-2-1-3-9-17)21-13-15-6-4-7-16(12-15)14-23-11-5-10-18(23)24/h1-4,6-9,12H,5,10-11,13-14H2,(H3,20,21,22).
What are the key properties of 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine?
2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine has a molecular weight of 322.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine is sourced from PubChem (CID 110915327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).