oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine

C15H21N3OS — CID 114720628

IUPACoxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine
SMILESCC(Cc1cccs1)n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H21N3OS/c1-11(7-13-3-2-6-20-13)18-10-17-8-14(18)15(16)12-4-5-19-9-12/h2-3,6,8,10-12,15H,4-5,7,9,16H2,1H3
InChIKeyAKRIXOLRILXSGX-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.78
Rot. Bonds5

About oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine

oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine (PubChem CID 114720628) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Nameoxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine
PubChem CID114720628
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Nameoxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine
SMILESCC(Cc1cccs1)n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H21N3OS/c1-11(7-13-3-2-6-20-13)18-10-17-8-14(18)15(16)12-4-5-19-9-12/h2-3,6,8,10-12,15H,4-5,7,9,16H2,1H3
InChIKeyAKRIXOLRILXSGX-UHFFFAOYSA-N
XLogP2.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
CID 114719000
[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114719164
3-methyl-2-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
CID 107444220
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine
CID 66152012
[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717319
(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104944059
[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716681
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine?
The IUPAC name of oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine (CID 114720628) is oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine.
What is the SMILES notation for oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine?
The canonical SMILES for oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine is CC(Cc1cccs1)n1cncc1C(N)C1CCOC1.
What is the InChIKey of oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine?
The InChIKey is AKRIXOLRILXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11(7-13-3-2-6-20-13)18-10-17-8-14(18)15(16)12-4-5-19-9-12/h2-3,6,8,10-12,15H,4-5,7,9,16H2,1H3.
What are the key properties of oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine?
oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methanamine is sourced from PubChem (CID 114720628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).