[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C15H19N3OS — CID 107649077

IUPAC[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCSc1ccccc1-n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H19N3OS/c1-20-14-5-3-2-4-12(14)18-10-17-8-13(18)15(16)11-6-7-19-9-11/h2-5,8,10-11,15H,6-7,9,16H2,1H3
InChIKeyIZMBEXLDZLRBIV-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.63
Rot. Bonds4

About [3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 107649077) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is [3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID107649077
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCSc1ccccc1-n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H19N3OS/c1-20-14-5-3-2-4-12(14)18-10-17-8-13(18)15(16)11-6-7-19-9-11/h2-5,8,10-11,15H,6-7,9,16H2,1H3
InChIKeyIZMBEXLDZLRBIV-UHFFFAOYSA-N
XLogP2.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717791
[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717621
oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine
CID 114720059
(1S)-1-[3-(2-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 107649069
[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716207
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-4-methylbenzonitrile
CID 114719865
[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720771
[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716228
4-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-3-bromobenzonitrile
CID 107795830
[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717319
[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716681

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 107649077) is [3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is CSc1ccccc1-n1cncc1C(N)C1CCOC1.
What is the InChIKey of [3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is IZMBEXLDZLRBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-20-14-5-3-2-4-12(14)18-10-17-8-13(18)15(16)11-6-7-19-9-11/h2-5,8,10-11,15H,6-7,9,16H2,1H3.
What are the key properties of [3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 289.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 107649077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).