3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol

C13H19N3OS — CID 75436142

IUPAC3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
SMILESCC(CC(O)c1cccs1)NCc1nccn1C
InChIInChI=1S/C13H19N3OS/c1-10(8-11(17)12-4-3-7-18-12)15-9-13-14-5-6-16(13)2/h3-7,10-11,15,17H,8-9H2,1-2H3
InChIKeyFHKAHTJZZBVPJR-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.08
Rot. Bonds6

About 3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol

3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol (PubChem CID 75436142) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
PubChem CID75436142
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
SMILESCC(CC(O)c1cccs1)NCc1nccn1C
InChIInChI=1S/C13H19N3OS/c1-10(8-11(17)12-4-3-7-18-12)15-9-13-14-5-6-16(13)2/h3-7,10-11,15,17H,8-9H2,1-2H3
InChIKeyFHKAHTJZZBVPJR-UHFFFAOYSA-N
XLogP2.08
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-1H-imidazol-2-yl)(2-thienyl)methanol
CID 4424199
(S)-3-(1-methyl-4-imidazolylsulfonylamino)-1-(2-thienyl)-1-propanol
CID 97355179
2,2-Difluoro-3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 106172823
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 109419710
1-[2-(5-Chlorothiophen-2-yl)-2-hydroxyethyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine
CID 111702618
{1-[(1-ethyl-1H-imidazol-2-yl)methyl]piperidin-4-yl}(2-thienyl)methanol
CID 50964447
7-Imidazol-1-yl-1-(4-methylthiophen-2-yl)heptan-1-ol
CID 18921876
5-[1-(1-Imidazolyl)-butyl]-thiophene-2-methanol
CID 19831112
1-Imidazol-1-yl-4-thiophen-2-ylbutan-2-ol
CID 20282156
1-Imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-ol
CID 20282544
1-[5-(Imidazol-1-ylmethyl)thiophen-2-yl]prop-2-en-1-ol
CID 21648935
2-Imidazol-1-yl-1-thiophen-2-yl-ethanol
CID 22324728

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol (CID 75436142) is 3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol is CC(CC(O)c1cccs1)NCc1nccn1C.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
The InChIKey is FHKAHTJZZBVPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10(8-11(17)12-4-3-7-18-12)15-9-13-14-5-6-16(13)2/h3-7,10-11,15,17H,8-9H2,1-2H3.
What are the key properties of 3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol has a molecular weight of 265.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 75436142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).