1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole

C19H26N2O3 — CID 20547939

IUPAC1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole
SMILESCC(C)(C)Oc1ccc(C2(CCCn3ccnc3)OCCO2)cc1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)24-17-7-5-16(6-8-17)19(22-13-14-23-19)9-4-11-21-12-10-20-15-21/h5-8,10,12,15H,4,9,11,13-14H2,1-3H3
InChIKeyOEJNRACXPSCLJM-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.74
Rot. Bonds6

About 1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole

1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole (PubChem CID 20547939) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole
PubChem CID20547939
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole
SMILESCC(C)(C)Oc1ccc(C2(CCCn3ccnc3)OCCO2)cc1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)24-17-7-5-16(6-8-17)19(22-13-14-23-19)9-4-11-21-12-10-20-15-21/h5-8,10,12,15H,4,9,11,13-14H2,1-3H3
InChIKeyOEJNRACXPSCLJM-UHFFFAOYSA-N
XLogP3.74
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882
1-[3-[2-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70548406
1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547705
1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547721
1-[3-[2-(4-chlorophenyl)-4,5-dimethyl-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547718
1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 154279954
1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole
CID 20567228
1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547846
1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547788
2-(4-tert-butylphenyl)-2-(3-chloropropyl)-1,3-dioxolane
CID 22320900
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
(2R)-5-imidazol-1-yl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]pentanoic acid
CID 57214887

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole?
The IUPAC name of 1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole (CID 20547939) is 1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole.
What is the SMILES notation for 1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole?
The canonical SMILES for 1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole is CC(C)(C)Oc1ccc(C2(CCCn3ccnc3)OCCO2)cc1.
What is the InChIKey of 1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole?
The InChIKey is OEJNRACXPSCLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,3)24-17-7-5-16(6-8-17)19(22-13-14-23-19)9-4-11-21-12-10-20-15-21/h5-8,10,12,15H,4,9,11,13-14H2,1-3H3.
What are the key properties of 1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole?
1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole has a molecular weight of 330.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dioxolan-2-yl]propyl]imidazole is sourced from PubChem (CID 20547939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).