[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine

C12H15N3 — CID 62221774

IUPAC[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
SMILESCc1cccc(Cn2ccnc2CN)c1
InChIInChI=1S/C12H15N3/c1-10-3-2-4-11(7-10)9-15-6-5-14-12(15)8-13/h2-7H,8-9,13H2,1H3
InChIKeyMZBCSBVSQMXFAB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.70
Rot. Bonds3

About [1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine

[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine (PubChem CID 62221774) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
PubChem CID62221774
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
SMILESCc1cccc(Cn2ccnc2CN)c1
InChIInChI=1S/C12H15N3/c1-10-3-2-4-11(7-10)9-15-6-5-14-12(15)8-13/h2-7H,8-9,13H2,1H3
InChIKeyMZBCSBVSQMXFAB-UHFFFAOYSA-N
XLogP1.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 102877958
3-[[2-(aminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221228
1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 113353800
N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563268
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952
4-[[2-(aminomethyl)imidazol-1-yl]methyl]phenol
CID 13477994
3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide
CID 42819409
[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889050

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine?
The IUPAC name of [1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine (CID 62221774) is [1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine?
The canonical SMILES for [1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine is Cc1cccc(Cn2ccnc2CN)c1.
What is the InChIKey of [1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine?
The InChIKey is MZBCSBVSQMXFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-3-2-4-11(7-10)9-15-6-5-14-12(15)8-13/h2-7H,8-9,13H2,1H3.
What are the key properties of [1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine?
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 62221774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).