3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one

C28H36N4O2 — CID 11561682

IUPAC3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
SMILESCOC1(c2ccc(-n3c(C)cn(CCc4ccccc4N4CCN(C)CC4)c3=O)cc2)CCC1
InChIInChI=1S/C28H36N4O2/c1-22-21-31(16-13-23-7-4-5-8-26(23)30-19-17-29(2)18-20-30)27(33)32(22)25-11-9-24(10-12-25)28(34-3)14-6-15-28/h4-5,7-12,21H,6,13-20H2,1-3H3
InChIKeyWAEXTKNFQCDVQF-UHFFFAOYSA-N
MW460.62 g/mol
LogP3.97
Rot. Bonds7

About 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one

3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one (PubChem CID 11561682) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one.

Molecular Properties

Compound Name3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
PubChem CID11561682
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
SMILESCOC1(c2ccc(-n3c(C)cn(CCc4ccccc4N4CCN(C)CC4)c3=O)cc2)CCC1
InChIInChI=1S/C28H36N4O2/c1-22-21-31(16-13-23-7-4-5-8-26(23)30-19-17-29(2)18-20-30)27(33)32(22)25-11-9-24(10-12-25)28(34-3)14-6-15-28/h4-5,7-12,21H,6,13-20H2,1-3H3
InChIKeyWAEXTKNFQCDVQF-UHFFFAOYSA-N
XLogP3.97
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one with MolForge

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Related Compounds

1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 11953047
1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
CID 11639779
1-methyl-4-(2-propylphenyl)piperazine
CID 21034052
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
CID 11531880
N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 117343517
1-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-4-methylpiperazine
CID 166093263
2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-phenyl-1,3-dihydroisoindole
CID 90941679
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
1-(4-fluorophenyl)-5-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 56518380
1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56518265

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
The IUPAC name of 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one (CID 11561682) is 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one.
What is the SMILES notation for 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
The canonical SMILES for 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one is COC1(c2ccc(-n3c(C)cn(CCc4ccccc4N4CCN(C)CC4)c3=O)cc2)CCC1.
What is the InChIKey of 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
The InChIKey is WAEXTKNFQCDVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-22-21-31(16-13-23-7-4-5-8-26(23)30-19-17-29(2)18-20-30)27(33)32(22)25-11-9-24(10-12-25)28(34-3)14-6-15-28/h4-5,7-12,21H,6,13-20H2,1-3H3.
What are the key properties of 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one has a molecular weight of 460.62 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one is sourced from PubChem (CID 11561682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).