1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one

C26H32N2O3 — CID 90707846

IUPAC1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one
SMILESCOc1ccc(CCCc2c(O)n(Cc3ccc(C)c(C)c3)c(=O)n2CC2CC2)cc1
InChIInChI=1S/C26H32N2O3/c1-18-7-8-22(15-19(18)2)17-28-25(29)24(27(26(28)30)16-21-9-10-21)6-4-5-20-11-13-23(31-3)14-12-20/h7-8,11-15,21,29H,4-6,9-10,16-17H2,1-3H3
InChIKeyCVXCWYTUBNVZKJ-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.61
Rot. Bonds9

About 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one

1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one (PubChem CID 90707846) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one
PubChem CID90707846
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one
SMILESCOc1ccc(CCCc2c(O)n(Cc3ccc(C)c(C)c3)c(=O)n2CC2CC2)cc1
InChIInChI=1S/C26H32N2O3/c1-18-7-8-22(15-19(18)2)17-28-25(29)24(27(26(28)30)16-21-9-10-21)6-4-5-20-11-13-23(31-3)14-12-20/h7-8,11-15,21,29H,4-6,9-10,16-17H2,1-3H3
InChIKeyCVXCWYTUBNVZKJ-UHFFFAOYSA-N
XLogP4.61
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one
CID 90815050
1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one
CID 91415007
1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-5-[3-(4-methoxyphenyl)propyl]imidazolidine-2,4-dione;2-[4-[3-[3-(cyclopropylmethyl)-1-[(3,4-dimethylphenyl)methyl]-2-oxoimidazol-4-yl]propyl]phenoxy]-2-methylpropanoic acid
CID 158890301
3-[(3,4-dimethylphenyl)methyl]-4-[3-(4-methoxyphenyl)propyl]-1-propylimidazolidin-2-one
CID 142249762
1-(cyclopropylmethyl)-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 155977207
4-[(2,4-dimethoxyphenyl)methyl]-2-[(3,4-dimethylphenyl)methyl]-5-[3-[4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]propyl]-1,2,4-triazol-3-one
CID 160615186
1,3-bis(cyclopropylmethyl)-8-[[4-hydroxy-3-(hydroxymethyl)butyl]amino]-7-[(4-methoxyphenyl)methyl]purine-2,6-dione
CID 70079564
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 42858323
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123890436
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
5-[3-(4-hydroxyphenyl)propyl]-2-[(3-methoxyphenyl)methyl]-4-propyl-1,2,4-triazol-3-one
CID 11372453
3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 158233978

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one (CID 90707846) is 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one is COc1ccc(CCCc2c(O)n(Cc3ccc(C)c(C)c3)c(=O)n2CC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one?
The InChIKey is CVXCWYTUBNVZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-18-7-8-22(15-19(18)2)17-28-25(29)24(27(26(28)30)16-21-9-10-21)6-4-5-20-11-13-23(31-3)14-12-20/h7-8,11-15,21,29H,4-6,9-10,16-17H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one?
1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one has a molecular weight of 420.55 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one is sourced from PubChem (CID 90707846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).