5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole

C28H26N2O3 — CID 167440285

IUPAC5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole
SMILESCC1(Cc2c(-c3ccccc3)ncn2Cc2cccc(OCc3ccccc3)c2)OC=CO1
InChIInChI=1S/C28H26N2O3/c1-28(32-15-16-33-28)18-26-27(24-12-6-3-7-13-24)29-21-30(26)19-23-11-8-14-25(17-23)31-20-22-9-4-2-5-10-22/h2-17,21H,18-20H2,1H3
InChIKeyRMTODKJHYCYCIX-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.95
Rot. Bonds8

About 5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole

5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole (PubChem CID 167440285) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole.

Molecular Properties

Compound Name5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole
PubChem CID167440285
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole
SMILESCC1(Cc2c(-c3ccccc3)ncn2Cc2cccc(OCc3ccccc3)c2)OC=CO1
InChIInChI=1S/C28H26N2O3/c1-28(32-15-16-33-28)18-26-27(24-12-6-3-7-13-24)29-21-30(26)19-23-11-8-14-25(17-23)31-20-22-9-4-2-5-10-22/h2-17,21H,18-20H2,1H3
InChIKeyRMTODKJHYCYCIX-UHFFFAOYSA-N
XLogP5.95
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole
CID 53312404
1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 47085998
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
5-methyl-5-phenyl-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 60603827
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol
CID 157184738
2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine
CID 50958682
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
1-phenylmethoxy-3-propylbenzene
CID 58977798
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
CID 10179002

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole?
The IUPAC name of 5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole (CID 167440285) is 5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole.
What is the SMILES notation for 5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole?
The canonical SMILES for 5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole is CC1(Cc2c(-c3ccccc3)ncn2Cc2cccc(OCc3ccccc3)c2)OC=CO1.
What is the InChIKey of 5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole?
The InChIKey is RMTODKJHYCYCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-28(32-15-16-33-28)18-26-27(24-12-6-3-7-13-24)29-21-30(26)19-23-11-8-14-25(17-23)31-20-22-9-4-2-5-10-22/h2-17,21H,18-20H2,1H3.
What are the key properties of 5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole?
5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole has a molecular weight of 438.53 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-dioxol-2-yl)methyl]-4-phenyl-1-[(3-phenylmethoxyphenyl)methyl]imidazole is sourced from PubChem (CID 167440285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).