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

C19H21N3O2S — CID 13157402

IUPAC1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESOC(CNC1CC1)COc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C19H21N3O2S/c23-15(10-20-14-5-6-14)12-24-16-7-3-13(4-8-16)19-21-11-17(22-19)18-2-1-9-25-18/h1-4,7-9,11,14-15,20,23H,5-6,10,12H2,(H,21,22)
InChIKeyFVDZPSYIYQITNI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.30
Rot. Bonds8

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

1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol (PubChem CID 13157402) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
PubChem CID13157402
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
SMILESOC(CNC1CC1)COc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1
InChIInChI=1S/C19H21N3O2S/c23-15(10-20-14-5-6-14)12-24-16-7-3-13(4-8-16)19-21-11-17(22-19)18-2-1-9-25-18/h1-4,7-9,11,14-15,20,23H,5-6,10,12H2,(H,21,22)
InChIKeyFVDZPSYIYQITNI-UHFFFAOYSA-N
XLogP3.30
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
2-[p-(3-Cyclopropylamino-2-hydroxypropoxy)phenyl]imidazole
CID 13157369
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
1-[(Propan-2-yl)amino]-3-{4-[4-(thiophen-2-yl)-1H-imidazol-2-yl]phenoxy}propan-2-ol
CID 13157406
1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157407

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol (CID 13157402) is 1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol is OC(CNC1CC1)COc1ccc(-c2ncc(-c3cccs3)[nH]2)cc1.
What is the InChIKey of 1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is FVDZPSYIYQITNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-15(10-20-14-5-6-14)12-24-16-7-3-13(4-8-16)19-21-11-17(22-19)18-2-1-9-25-18/h1-4,7-9,11,14-15,20,23H,5-6,10,12H2,(H,21,22).
What are the key properties of 1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol?
1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol has a molecular weight of 355.46 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 13157402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).