5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine

C19H22ClN5 — CID 155175750

IUPAC5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine
SMILESC/N=C1\Nc2cc(-n3cnc(C4CCCN4)c3)c(Cl)cc2C12CCC2
InChIInChI=1S/C19H22ClN5/c1-21-18-19(5-3-6-19)12-8-13(20)17(9-15(12)24-18)25-10-16(23-11-25)14-4-2-7-22-14/h8-11,14,22H,2-7H2,1H3,(H,21,24)
InChIKeyMACRJWJDDGLQNZ-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.83
Rot. Bonds2

About 5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine

5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine (PubChem CID 155175750) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine
PubChem CID155175750
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine
SMILESC/N=C1\Nc2cc(-n3cnc(C4CCCN4)c3)c(Cl)cc2C12CCC2
InChIInChI=1S/C19H22ClN5/c1-21-18-19(5-3-6-19)12-8-13(20)17(9-15(12)24-18)25-10-16(23-11-25)14-4-2-7-22-14/h8-11,14,22H,2-7H2,1H3,(H,21,24)
InChIKeyMACRJWJDDGLQNZ-UHFFFAOYSA-N
XLogP3.83
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine
CID 148522262
5-chloro-7-fluoro-N-methyl-6-[4-[(2R)-pyrrolidin-2-yl]triazol-1-yl]spiro[1H-indole-3,1'-cyclobutane]-2-imine
CID 155175865
1-[1-(5-chloro-2-methyliminospiro[1H-indole-3,1'-cyclobutane]-6-yl)pyrazol-4-yl]-N,N-dimethylmethanamine
CID 146338613
6-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyridine
CID 83831852
2,4-dichloro-5-[(2R)-piperidin-2-yl]pyridine
CID 130788142
1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole
CID 117409218
2-imidazol-1-yl-6-[(2S)-pyrrolidin-2-yl]pyridine
CID 95816194
2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine
CID 175660871
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
4-(2,5-dichlorophenyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-one
CID 107654766
5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine?
The IUPAC name of 5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine (CID 155175750) is 5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine.
What is the SMILES notation for 5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine?
The canonical SMILES for 5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine is C/N=C1\Nc2cc(-n3cnc(C4CCCN4)c3)c(Cl)cc2C12CCC2.
What is the InChIKey of 5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine?
The InChIKey is MACRJWJDDGLQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c1-21-18-19(5-3-6-19)12-8-13(20)17(9-15(12)24-18)25-10-16(23-11-25)14-4-2-7-22-14/h8-11,14,22H,2-7H2,1H3,(H,21,24).
What are the key properties of 5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine?
5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine has a molecular weight of 355.87 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-(4-pyrrolidin-2-ylimidazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine is sourced from PubChem (CID 155175750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).