[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C15H19N3O — CID 114717533

IUPAC[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1ccc(-n2cncc2C(N)C2CCOC2)cc1
InChIInChI=1S/C15H19N3O/c1-11-2-4-13(5-3-11)18-10-17-8-14(18)15(16)12-6-7-19-9-12/h2-5,8,10,12,15H,6-7,9,16H2,1H3
InChIKeyIWESUEMNZYKFNO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.22
Rot. Bonds3

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

[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114717533) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114717533
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1ccc(-n2cncc2C(N)C2CCOC2)cc1
InChIInChI=1S/C15H19N3O/c1-11-2-4-13(5-3-11)18-10-17-8-14(18)15(16)12-6-7-19-9-12/h2-5,8,10,12,15H,6-7,9,16H2,1H3
InChIKeyIWESUEMNZYKFNO-UHFFFAOYSA-N
XLogP2.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716207
[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716228
[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720771
[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717621
[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 107649077
[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717791
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-4-methylbenzonitrile
CID 114719865
(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 130518971
4-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-3-bromobenzonitrile
CID 107795830
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine
CID 114720059
[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717319

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114717533) is [3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is Cc1ccc(-n2cncc2C(N)C2CCOC2)cc1.
What is the InChIKey of [3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is IWESUEMNZYKFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-2-4-13(5-3-11)18-10-17-8-14(18)15(16)12-6-7-19-9-12/h2-5,8,10,12,15H,6-7,9,16H2,1H3.
What are the key properties of [3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114717533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).