1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one

C27H32N4O4 — CID 59292777

IUPAC1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one
SMILESC=CCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(-c2cccc(OCCCOC)c2)c1=O
InChIInChI=1S/C27H32N4O4/c1-3-15-30-25(26(32)29-16-13-28-14-17-29)24(21-9-5-4-6-10-21)31(27(30)33)22-11-7-12-23(20-22)35-19-8-18-34-2/h3-7,9-12,20,28H,1,8,13-19H2,2H3
InChIKeyJHFMAVVNNLXONC-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.95
Rot. Bonds10

About 1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one

1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one (PubChem CID 59292777) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one.

Molecular Properties

Compound Name1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one
PubChem CID59292777
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one
SMILESC=CCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(-c2cccc(OCCCOC)c2)c1=O
InChIInChI=1S/C27H32N4O4/c1-3-15-30-25(26(32)29-16-13-28-14-17-29)24(21-9-5-4-6-10-21)31(27(30)33)22-11-7-12-23(20-22)35-19-8-18-34-2/h3-7,9-12,20,28H,1,8,13-19H2,2H3
InChIKeyJHFMAVVNNLXONC-UHFFFAOYSA-N
XLogP2.95
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292634
1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292507
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]benzenesulfonamide;N-[2-[3-[3-(3-methoxypropoxy)phenyl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-methylbutanamide
CID 159143004
4-methoxy-N-[3-[3-(3-morpholin-4-ylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 59292715
1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-phenoxyethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292573
1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292750
phenyl N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]carbamate
CID 59292380
[4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone
CID 119401946
1,4-diazepan-1-yl-[3-(2-methoxyethoxy)phenyl]methanone
CID 119414051
N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide
CID 59292614
1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;3-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]butanamide;2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propane-1-sulfonamide;N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]benzenesulfonamide
CID 161269852
2-methyl-N-[3-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]propanamide
CID 59292687

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one?
The IUPAC name of 1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one (CID 59292777) is 1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one.
What is the SMILES notation for 1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one?
The canonical SMILES for 1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one is C=CCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(-c2cccc(OCCCOC)c2)c1=O.
What is the InChIKey of 1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one?
The InChIKey is JHFMAVVNNLXONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-3-15-30-25(26(32)29-16-13-28-14-17-29)24(21-9-5-4-6-10-21)31(27(30)33)22-11-7-12-23(20-22)35-19-8-18-34-2/h3-7,9-12,20,28H,1,8,13-19H2,2H3.
What are the key properties of 1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one?
1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one has a molecular weight of 476.58 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one is sourced from PubChem (CID 59292777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).