1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine

C12H15N3 — CID 60861612

IUPAC1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine
SMILESCc1ccc(Cn2ccnc2N)cc1C
InChIInChI=1S/C12H15N3/c1-9-3-4-11(7-10(9)2)8-15-6-5-14-12(15)13/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyXBFQTJBEMIAWMD-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.13
Rot. Bonds2

About 1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine

1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine (PubChem CID 60861612) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine
PubChem CID60861612
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine
SMILESCc1ccc(Cn2ccnc2N)cc1C
InChIInChI=1S/C12H15N3/c1-9-3-4-11(7-10(9)2)8-15-6-5-14-12(15)13/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyXBFQTJBEMIAWMD-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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Related Compounds

N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222871
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
2-bromo-5-[(2-methylimidazol-1-yl)methyl]aniline
CID 115557276
2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 63975634
[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889050
1-[(2-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 114554203
8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328653
1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine
CID 66404865
1-[(3,4-dimethylphenyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62950906
1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol
CID 165463249

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine (CID 60861612) is 1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine is Cc1ccc(Cn2ccnc2N)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine?
The InChIKey is XBFQTJBEMIAWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-3-4-11(7-10(9)2)8-15-6-5-14-12(15)13/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine?
1-[(3,4-dimethylphenyl)methyl]imidazol-2-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-[(3,4-dimethylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 60861612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).