2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine

C19H28N6 — CID 119149893

IUPAC2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine
SMILESC/N=C(\NCc1nccn1C)NC1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C19H28N6/c1-15(16-7-5-4-6-8-16)25-11-9-17(14-25)23-19(20-2)22-13-18-21-10-12-24(18)3/h4-8,10,12,15,17H,9,11,13-14H2,1-3H3,(H2,20,22,23)
InChIKeyCLGIADUBLSYGOV-UHFFFAOYSA-N
MW340.48 g/mol
LogP1.92
Rot. Bonds5

About 2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine

2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine (PubChem CID 119149893) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine
PubChem CID119149893
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine
SMILESC/N=C(\NCc1nccn1C)NC1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C19H28N6/c1-15(16-7-5-4-6-8-16)25-11-9-17(14-25)23-19(20-2)22-13-18-21-10-12-24(18)3/h4-8,10,12,15,17H,9,11,13-14H2,1-3H3,(H2,20,22,23)
InChIKeyCLGIADUBLSYGOV-UHFFFAOYSA-N
XLogP1.92
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 51.92
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-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine
CID 119155051
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine
CID 119149907
2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 119149886
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119150641
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine
CID 119150546
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[1-(1-phenylethyl)piperidin-4-yl]guanidine;hydroiodide
CID 109405694
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910568
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine?
The IUPAC name of 2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine (CID 119149893) is 2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine.
What is the SMILES notation for 2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine?
The canonical SMILES for 2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine is C/N=C(\NCc1nccn1C)NC1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of 2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine?
The InChIKey is CLGIADUBLSYGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-15(16-7-5-4-6-8-16)25-11-9-17(14-25)23-19(20-2)22-13-18-21-10-12-24(18)3/h4-8,10,12,15,17H,9,11,13-14H2,1-3H3,(H2,20,22,23).
What are the key properties of 2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine?
2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine has a molecular weight of 340.48 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine is sourced from PubChem (CID 119149893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).