3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione

C28H29N3O3 — CID 143398720

IUPAC3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(-c2ccc(N3C(=O)CN(Cc4ccc(CN5CCCC5)cc4)C3=O)cc2)cc1
InChIInChI=1S/C28H29N3O3/c1-34-26-14-10-24(11-15-26)23-8-12-25(13-9-23)31-27(32)20-30(28(31)33)19-22-6-4-21(5-7-22)18-29-16-2-3-17-29/h4-15H,2-3,16-20H2,1H3
InChIKeyGRFJFYREUATALD-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.93
Rot. Bonds7

About 3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione

3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 143398720) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID143398720
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(-c2ccc(N3C(=O)CN(Cc4ccc(CN5CCCC5)cc4)C3=O)cc2)cc1
InChIInChI=1S/C28H29N3O3/c1-34-26-14-10-24(11-15-26)23-8-12-25(13-9-23)31-27(32)20-30(28(31)33)19-22-6-4-21(5-7-22)18-29-16-2-3-17-29/h4-15H,2-3,16-20H2,1H3
InChIKeyGRFJFYREUATALD-UHFFFAOYSA-N
XLogP4.93
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 71375150
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
1-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepane
CID 51075596
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one
CID 134794419
1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 60836616
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
2-(4-methoxyphenyl)-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24550651
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 143398720) is 3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione is COc1ccc(-c2ccc(N3C(=O)CN(Cc4ccc(CN5CCCC5)cc4)C3=O)cc2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is GRFJFYREUATALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-34-26-14-10-24(11-15-26)23-8-12-25(13-9-23)31-27(32)20-30(28(31)33)19-22-6-4-21(5-7-22)18-29-16-2-3-17-29/h4-15H,2-3,16-20H2,1H3.
What are the key properties of 3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione?
3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 455.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143398720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).