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

C19H26N6 — CID 119150295

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
SMILESC/N=C(\NCc1ncc(-c2ccccc2)[nH]1)NC1CCN(C2CC2)C1
InChIInChI=1S/C19H26N6/c1-20-19(23-15-9-10-25(13-15)16-7-8-16)22-12-18-21-11-17(24-18)14-5-3-2-4-6-14/h2-6,11,15-16H,7-10,12-13H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyYJVZUDJIKDZLAS-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.98
Rot. Bonds5

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

1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine (PubChem CID 119150295) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
PubChem CID119150295
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
SMILESC/N=C(\NCc1ncc(-c2ccccc2)[nH]1)NC1CCN(C2CC2)C1
InChIInChI=1S/C19H26N6/c1-20-19(23-15-9-10-25(13-15)16-7-8-16)22-12-18-21-11-17(24-18)14-5-3-2-4-6-14/h2-6,11,15-16H,7-10,12-13H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyYJVZUDJIKDZLAS-UHFFFAOYSA-N
XLogP1.98
TPSA68.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.98
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'}

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Related Compounds

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 119150752
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111921194
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 109440100
tert-butyl N-[1-[N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730593
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119150732
1-(1-cyclopropylpyrrolidin-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 119150003
N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119145071
1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119159760
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119150641
2-methyl-1-(2-methylsulfanylethyl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 111344559
1-(1-cyclopropylpyrrolidin-3-yl)-3-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-methylguanidine
CID 119157022
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 119157142

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine (CID 119150295) is 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine is C/N=C(\NCc1ncc(-c2ccccc2)[nH]1)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The InChIKey is YJVZUDJIKDZLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-20-19(23-15-9-10-25(13-15)16-7-8-16)22-12-18-21-11-17(24-18)14-5-3-2-4-6-14/h2-6,11,15-16H,7-10,12-13H2,1H3,(H,21,24)(H2,20,22,23).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine has a molecular weight of 338.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine is sourced from PubChem (CID 119150295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).