methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate

C21H23N3O3 — CID 22098608

IUPACmethyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(-n2cc(C)n(-c3ccc(CN)cc3)c2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-15-14-23(18-8-3-16(4-9-18)7-12-20(25)27-2)21(26)24(15)19-10-5-17(13-22)6-11-19/h3-6,8-11,14H,7,12-13,22H2,1-2H3
InChIKeyDDKYUGGOKOQQSK-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.50
Rot. Bonds6

About methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate

methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate (PubChem CID 22098608) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate
PubChem CID22098608
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namemethyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(-n2cc(C)n(-c3ccc(CN)cc3)c2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-15-14-23(18-8-3-16(4-9-18)7-12-20(25)27-2)21(26)24(15)19-10-5-17(13-22)6-11-19/h3-6,8-11,14H,7,12-13,22H2,1-2H3
InChIKeyDDKYUGGOKOQQSK-UHFFFAOYSA-N
XLogP2.50
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate with MolForge

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Related Compounds

methyl 3-[4-[3-(4-carbamimidoylphenyl)-5-hydroxy-2-oxoimidazol-1-yl]phenyl]propanoate
CID 54127160
methyl 3-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]propanoate;hydrochloride
CID 22362448
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-[3-[3-(cyanomethyl)phenyl]-2-oxoimidazol-1-yl]phenyl]propanoate
CID 22098367
methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoate;hydrochloride
CID 19032615
methyl 3-[4-[3-(4-cyanocyclohexyl)-2-oxoimidazol-1-yl]phenyl]propanoate
CID 70073829
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate
CID 117095103
methyl 3-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]propanoate
CID 70077589
hydroxy-[4-(3-methoxy-3-oxopropyl)phenyl]-oxophosphanium
CID 69477397
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1H-imidazol-5-yl]phenyl]propanoate;hydrochloride
CID 22098732

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate (CID 22098608) is methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate is COC(=O)CCc1ccc(-n2cc(C)n(-c3ccc(CN)cc3)c2=O)cc1.
What is the InChIKey of methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate?
The InChIKey is DDKYUGGOKOQQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-14-23(18-8-3-16(4-9-18)7-12-20(25)27-2)21(26)24(15)19-10-5-17(13-22)6-11-19/h3-6,8-11,14H,7,12-13,22H2,1-2H3.
What are the key properties of methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate?
methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate has a molecular weight of 365.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[3-[4-(aminomethyl)phenyl]-4-methyl-2-oxoimidazol-1-yl]phenyl]propanoate is sourced from PubChem (CID 22098608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).