1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

C20H29N3O2 — CID 15917634

IUPAC1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CNC(C)C)n1c(C)cnc1CC
InChIInChI=1S/C20H29N3O2/c1-6-20-22-11-15(4)23(20)16(5)18-9-7-8-10-19(18)25-13-17(24)12-21-14(2)3/h7-11,14,17,21,24H,5-6,12-13H2,1-4H3
InChIKeyJCXFZNDQGTZFCZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.01
Rot. Bonds9

About 1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 15917634) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID15917634
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESC=C(c1ccccc1OCC(O)CNC(C)C)n1c(C)cnc1CC
InChIInChI=1S/C20H29N3O2/c1-6-20-22-11-15(4)23(20)16(5)18-9-7-8-10-19(18)25-13-17(24)12-21-14(2)3/h7-11,14,17,21,24H,5-6,12-13H2,1-4H3
InChIKeyJCXFZNDQGTZFCZ-UHFFFAOYSA-N
XLogP3.01
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol with MolForge

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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, 3-(isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069765
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-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 15917634) is 1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is C=C(c1ccccc1OCC(O)CNC(C)C)n1c(C)cnc1CC.
What is the InChIKey of 1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is JCXFZNDQGTZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-6-20-22-11-15(4)23(20)16(5)18-9-7-8-10-19(18)25-13-17(24)12-21-14(2)3/h7-11,14,17,21,24H,5-6,12-13H2,1-4H3.
What are the key properties of 1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-ethyl-5-methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 15917634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).