1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine

C12H15N3 — CID 165467691

IUPAC1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine
SMILESCc1cc(C)cc(Cn2cnc(N)c2)c1
InChIInChI=1S/C12H15N3/c1-9-3-10(2)5-11(4-9)6-15-7-12(13)14-8-15/h3-5,7-8H,6,13H2,1-2H3
InChIKeyUMSMRFWJMVMEJY-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.13
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine

1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine (PubChem CID 165467691) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine
PubChem CID165467691
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine
SMILESCc1cc(C)cc(Cn2cnc(N)c2)c1
InChIInChI=1S/C12H15N3/c1-9-3-10(2)5-11(4-9)6-15-7-12(13)14-8-15/h3-5,7-8H,6,13H2,1-2H3
InChIKeyUMSMRFWJMVMEJY-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine (CID 165467691) is 1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine is Cc1cc(C)cc(Cn2cnc(N)c2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine?
The InChIKey is UMSMRFWJMVMEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-3-10(2)5-11(4-9)6-15-7-12(13)14-8-15/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine?
1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine has a molecular weight of 201.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]imidazol-4-amine is sourced from PubChem (CID 165467691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).