1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine

C12H17N3OS — CID 79505643

IUPAC1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccs2)N1CC1CCCO1
InChIInChI=1S/C12H17N3OS/c13-12-14-7-10(11-4-2-6-17-11)15(12)8-9-3-1-5-16-9/h2,4,6,9-10H,1,3,5,7-8H2,(H2,13,14)
InChIKeyGLPRPFBOWBDRJU-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.60
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine

1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79505643) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79505643
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccs2)N1CC1CCCO1
InChIInChI=1S/C12H17N3OS/c13-12-14-7-10(11-4-2-6-17-11)15(12)8-9-3-1-5-16-9/h2,4,6,9-10H,1,3,5,7-8H2,(H2,13,14)
InChIKeyGLPRPFBOWBDRJU-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79499507
4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol
CID 79505260
1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79506524
5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79500198
5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79505720
2-thiophen-2-yloxan-3-amine
CID 79365694
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83250456
(2R)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 980850
3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83247866
1-(3-methylphenyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79505674
4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 2945434
(4S)-2-amino-7-methyl-5-oxo-6-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1395929

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine (CID 79505643) is 1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cccs2)N1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is GLPRPFBOWBDRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-12-14-7-10(11-4-2-6-17-11)15(12)8-9-3-1-5-16-9/h2,4,6,9-10H,1,3,5,7-8H2,(H2,13,14).
What are the key properties of 1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine?
1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 251.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).