1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one

C14H18N4O — CID 120972725

IUPAC1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one
SMILESCC1CN=C(NCc2cccc(N3CCC3=O)c2)N1
InChIInChI=1S/C14H18N4O/c1-10-8-15-14(17-10)16-9-11-3-2-4-12(7-11)18-6-5-13(18)19/h2-4,7,10H,5-6,8-9H2,1H3,(H2,15,16,17)
InChIKeyJSMKUFDOBSRGSU-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.86
Rot. Bonds3

About 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one

1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one (PubChem CID 120972725) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one.

Molecular Properties

Compound Name1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one
PubChem CID120972725
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one
SMILESCC1CN=C(NCc2cccc(N3CCC3=O)c2)N1
InChIInChI=1S/C14H18N4O/c1-10-8-15-14(17-10)16-9-11-3-2-4-12(7-11)18-6-5-13(18)19/h2-4,7,10H,5-6,8-9H2,1H3,(H2,15,16,17)
InChIKeyJSMKUFDOBSRGSU-UHFFFAOYSA-N
XLogP0.86
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one with MolForge

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Related Compounds

5-methyl-N-[[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120972179
5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione
CID 120972799
1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120970003
1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one
CID 100716716
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
5-methyl-N-[(5-methyl-3-pyridinyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120971881
4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969159
1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine
CID 122082680

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one?
The IUPAC name of 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one (CID 120972725) is 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one.
What is the SMILES notation for 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one?
The canonical SMILES for 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one is CC1CN=C(NCc2cccc(N3CCC3=O)c2)N1.
What is the InChIKey of 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one?
The InChIKey is JSMKUFDOBSRGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-15-14(17-10)16-9-11-3-2-4-12(7-11)18-6-5-13(18)19/h2-4,7,10H,5-6,8-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one?
1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one is sourced from PubChem (CID 120972725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).