imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone

C18H20N2O3 — CID 145479370

IUPACimidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCNC2)cc1OCc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-22-16-8-7-15(18(21)20-10-9-19-13-20)11-17(16)23-12-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeyPMWXIAKVUOHSMB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.28
Rot. Bonds5

About imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone

imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone (PubChem CID 145479370) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Nameimidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone
PubChem CID145479370
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameimidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCNC2)cc1OCc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-22-16-8-7-15(18(21)20-10-9-19-13-20)11-17(16)23-12-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeyPMWXIAKVUOHSMB-UHFFFAOYSA-N
XLogP2.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 9295714
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(3-methoxy-4-phenylmethoxyphenyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55975841
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485

Frequently Asked Questions

What is the IUPAC name of imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone?
The IUPAC name of imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone (CID 145479370) is imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone?
The canonical SMILES for imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone is COc1ccc(C(=O)N2CCNC2)cc1OCc1ccccc1.
What is the InChIKey of imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone?
The InChIKey is PMWXIAKVUOHSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-16-8-7-15(18(21)20-10-9-19-13-20)11-17(16)23-12-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12-13H2,1H3.
What are the key properties of imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone?
imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 145479370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).