2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol

C11H15N3OS — CID 63296094

IUPAC2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol
SMILESCn1ccnc1CNCC(O)c1cccs1
InChIInChI=1S/C11H15N3OS/c1-14-5-4-13-11(14)8-12-7-9(15)10-3-2-6-16-10/h2-6,9,12,15H,7-8H2,1H3
InChIKeyZJJDWAIHNRQGBZ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.30
Rot. Bonds5

About 2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol

2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol (PubChem CID 63296094) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol
PubChem CID63296094
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol
SMILESCn1ccnc1CNCC(O)c1cccs1
InChIInChI=1S/C11H15N3OS/c1-14-5-4-13-11(14)8-12-7-9(15)10-3-2-6-16-10/h2-6,9,12,15H,7-8H2,1H3
InChIKeyZJJDWAIHNRQGBZ-UHFFFAOYSA-N
XLogP1.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.30
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)-2-(1-methyl-4-imidazolylsulfonylamino)-1-(3-methyl-2-thienyl)-1-ethanol
CID 97355056
(S)-3-(1-methyl-4-imidazolylsulfonylamino)-1-(2-thienyl)-1-propanol
CID 97355179
3-[(1-Methylimidazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 75436142
1-(2-Hydroxy-2-thiophen-3-ylethyl)-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]urea
CID 75372935
1-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]urea
CID 97215541
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]urea
CID 97215542
1,1,1-Trifluoro-3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-2-ol
CID 105643087
1,1-Difluoro-3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-2-ol
CID 105643998
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 109419710
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine
CID 111653878
1-[2-(5-Chlorothiophen-2-yl)-2-hydroxyethyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine
CID 111702618

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol (CID 63296094) is 2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol is Cn1ccnc1CNCC(O)c1cccs1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol?
The InChIKey is ZJJDWAIHNRQGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14-5-4-13-11(14)8-12-7-9(15)10-3-2-6-16-10/h2-6,9,12,15H,7-8H2,1H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol?
2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol has a molecular weight of 237.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 63296094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).