1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol

C24H25N3O2S — CID 13157407

IUPAC1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESOC(CNCCc1ccccc1)COc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C24H25N3O2S/c28-20(15-25-13-12-18-5-2-1-3-6-18)17-29-21-10-8-19(9-11-21)24-26-16-22(27-24)23-7-4-14-30-23/h1-11,14,16,20,25,28H,12-13,15,17H2,(H,26,27)
InChIKeyBUVBCGDYVPTGMH-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.38
Rot. Bonds10

About 1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol

1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol (PubChem CID 13157407) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
PubChem CID13157407
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESOC(CNCCc1ccccc1)COc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C24H25N3O2S/c28-20(15-25-13-12-18-5-2-1-3-6-18)17-29-21-10-8-19(9-11-21)24-26-16-22(27-24)23-7-4-14-30-23/h1-11,14,16,20,25,28H,12-13,15,17H2,(H,26,27)
InChIKeyBUVBCGDYVPTGMH-UHFFFAOYSA-N
XLogP4.38
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 135079
(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
L 643717-01J10
CID 13157385
1-(tert-butylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 12521601
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
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157380
1-[[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]amino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157382
2-[p-(3-Cyclopropylamino-2-hydroxypropoxy)phenyl]-4-(2-thienyl)imidazole
CID 13157402
1-[(Propan-2-yl)amino]-3-{4-[4-(thiophen-2-yl)-1H-imidazol-2-yl]phenoxy}propan-2-ol
CID 13157406
1-(cyclopropylamino)-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157410

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol (CID 13157407) is 1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol is OC(CNCCc1ccccc1)COc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1.
What is the InChIKey of 1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is BUVBCGDYVPTGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-20(15-25-13-12-18-5-2-1-3-6-18)17-29-21-10-8-19(9-11-21)24-26-16-22(27-24)23-7-4-14-30-23/h1-11,14,16,20,25,28H,12-13,15,17H2,(H,26,27).
What are the key properties of 1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol has a molecular weight of 419.55 g/mol, XLogP of 4.38, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 13157407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).