1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one

C17H21N5O2 — CID 168630703

IUPAC1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESCc1cn(N=Cc2ccccc2OCCN2CCCC2=O)c(N)n1
InChIInChI=1S/C17H21N5O2/c1-13-12-22(17(18)20-13)19-11-14-5-2-3-6-15(14)24-10-9-21-8-4-7-16(21)23/h2-3,5-6,11-12H,4,7-10H2,1H3,(H2,18,20)
InChIKeyNSHHMFWSACLDRN-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.66
Rot. Bonds6

About 1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 168630703) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one
PubChem CID168630703
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one
SMILESCc1cn(N=Cc2ccccc2OCCN2CCCC2=O)c(N)n1
InChIInChI=1S/C17H21N5O2/c1-13-12-22(17(18)20-13)19-11-14-5-2-3-6-15(14)24-10-9-21-8-4-7-16(21)23/h2-3,5-6,11-12H,4,7-10H2,1H3,(H2,18,20)
InChIKeyNSHHMFWSACLDRN-UHFFFAOYSA-N
XLogP1.66
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one
CID 168530961
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine
CID 168591840
1-[2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 168627759
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629237
1-[[2-(azepan-1-ylmethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629078
4-methyl-1-[(2-piperazin-1-ylphenyl)methylideneamino]imidazol-2-amine
CID 168631043
1-[(2-cyclopropylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168629566
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
1-[2-[2-(3-aminopropyl)phenoxy]ethyl]pyrrolidin-2-one
CID 170879211

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one (CID 168630703) is 1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one is Cc1cn(N=Cc2ccccc2OCCN2CCCC2=O)c(N)n1.
What is the InChIKey of 1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is NSHHMFWSACLDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-12-22(17(18)20-13)19-11-14-5-2-3-6-15(14)24-10-9-21-8-4-7-16(21)23/h2-3,5-6,11-12H,4,7-10H2,1H3,(H2,18,20).
What are the key properties of 1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168630703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).