methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one

C26H32N4O3 — CID 158335703

IUPACmethane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
SMILESC.COc1ccc(CCN2C(=O)N(NCc3ccccn3)CC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N4O3.CH4/c1-31-22-10-6-19(7-11-22)14-16-28-24(20-8-12-23(32-2)13-9-20)18-29(25(28)30)27-17-21-5-3-4-15-26-21;/h3-13,15,24,27H,14,16-18H2,1-2H3;1H4
InChIKeyGQNYNYRXNIHEIT-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.46
Rot. Bonds9

About methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one

methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one (PubChem CID 158335703) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one.

Molecular Properties

Compound Namemethane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
PubChem CID158335703
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Namemethane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
SMILESC.COc1ccc(CCN2C(=O)N(NCc3ccccn3)CC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N4O3.CH4/c1-31-22-10-6-19(7-11-22)14-16-28-24(20-8-12-23(32-2)13-9-20)18-29(25(28)30)27-17-21-5-3-4-15-26-21;/h3-13,15,24,27H,14,16-18H2,1-2H3;1H4
InChIKeyGQNYNYRXNIHEIT-UHFFFAOYSA-N
XLogP4.46
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
CID 143600043
1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one
CID 25015934
4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine
CID 25017496
N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
CID 25019019
N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide
CID 25019540
N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
CID 25018004
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 3831558
(7R)-5-[3-(4-methoxyphenyl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 92618718

Frequently Asked Questions

What is the IUPAC name of methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one?
The IUPAC name of methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one (CID 158335703) is methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one.
What is the SMILES notation for methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one?
The canonical SMILES for methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one is C.COc1ccc(CCN2C(=O)N(NCc3ccccn3)CC2c2ccc(OC)cc2)cc1.
What is the InChIKey of methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one?
The InChIKey is GQNYNYRXNIHEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3.CH4/c1-31-22-10-6-19(7-11-22)14-16-28-24(20-8-12-23(32-2)13-9-20)18-29(25(28)30)27-17-21-5-3-4-15-26-21;/h3-13,15,24,27H,14,16-18H2,1-2H3;1H4.
What are the key properties of methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one?
methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one has a molecular weight of 448.57 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one is sourced from PubChem (CID 158335703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).