1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol

C11H17N3OS — CID 120971501

IUPAC1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol
SMILESCN1CCN=C1NCC(C)(O)c1cccs1
InChIInChI=1S/C11H17N3OS/c1-11(15,9-4-3-7-16-9)8-13-10-12-5-6-14(10)2/h3-4,7,15H,5-6,8H2,1-2H3,(H,12,13)
InChIKeyRFEBCEHMTNMEDU-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.85
Rot. Bonds3

About 1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol

1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 120971501) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol
PubChem CID120971501
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol
SMILESCN1CCN=C1NCC(C)(O)c1cccs1
InChIInChI=1S/C11H17N3OS/c1-11(15,9-4-3-7-16-9)8-13-10-12-5-6-14(10)2/h3-4,7,15H,5-6,8H2,1-2H3,(H,12,13)
InChIKeyRFEBCEHMTNMEDU-UHFFFAOYSA-N
XLogP0.85
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol
CID 120972167
1-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 120970611
5-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]pyrazine-2-carboxylic acid
CID 122053923
1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol
CID 112501508
N-[2-(3-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970612
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970535
N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
CID 120971740
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
CID 99983177
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
CID 63220271
N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970142

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol (CID 120971501) is 1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol is CN1CCN=C1NCC(C)(O)c1cccs1.
What is the InChIKey of 1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is RFEBCEHMTNMEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(15,9-4-3-7-16-9)8-13-10-12-5-6-14(10)2/h3-4,7,15H,5-6,8H2,1-2H3,(H,12,13).
What are the key properties of 1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol?
1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 239.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 120971501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).