1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

C18H25N3O2 — CID 3069765

IUPAC1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CNC(C)C)n1cnc(C)c1
InChIInChI=1S/C18H25N3O2/c1-13(2)19-9-16(22)11-23-18-8-6-5-7-17(18)15(4)21-10-14(3)20-12-21/h5-8,10,12-13,16,19,22H,4,9,11H2,1-3H3
InChIKeyLPSXDXCCSPKSIX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.45
Rot. Bonds8

About 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 3069765) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID3069765
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CNC(C)C)n1cnc(C)c1
InChIInChI=1S/C18H25N3O2/c1-13(2)19-9-16(22)11-23-18-8-6-5-7-17(18)15(4)21-10-14(3)20-12-21/h5-8,10,12-13,16,19,22H,4,9,11H2,1-3H3
InChIKeyLPSXDXCCSPKSIX-UHFFFAOYSA-N
XLogP2.45
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069781
(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878481
2-Propanol, 1-(6-(1-(1H-benzimidazol-1-yl)vinyl)phenoxy)-3-(tert-butylamino)-
CID 3069764
2-Propanol, 1-((6-(1-(1H-benzimidazol-1-yl)vinyl)-2-methoxy)phenoxy)-3-(tert-butylamino)-
CID 3069771
2-Propanol, 1-(2,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-3-(isopropylamino)-
CID 3069779
2-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069780
(2-Methoxyphenyl)(1-methyl-2-propyl-1H-imidazol-5-yl)methanol
CID 2881241
1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 12521588
1-(tert-butylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 12521605
(2S)-1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 13157364
2-[p-(3-Cyclopropylamino-2-hydroxypropoxy)phenyl]imidazole
CID 13157369

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 3069765) is 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is C=C(c1ccccc1OCC(O)CNC(C)C)n1cnc(C)c1.
What is the InChIKey of 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is LPSXDXCCSPKSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)19-9-16(22)11-23-18-8-6-5-7-17(18)15(4)21-10-14(3)20-12-21/h5-8,10,12-13,16,19,22H,4,9,11H2,1-3H3.
What are the key properties of 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 315.42 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 3069765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).