[2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine

C13H17N3 — CID 82284713

IUPAC[2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
SMILESCc1cccc(Cn2cc(CN)nc2C)c1
InChIInChI=1S/C13H17N3/c1-10-4-3-5-12(6-10)8-16-9-13(7-14)15-11(16)2/h3-6,9H,7-8,14H2,1-2H3
InChIKeyVTRDGYQDKWDULV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.01
Rot. Bonds3

About [2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine

[2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine (PubChem CID 82284713) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
PubChem CID82284713
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
SMILESCc1cccc(Cn2cc(CN)nc2C)c1
InChIInChI=1S/C13H17N3/c1-10-4-3-5-12(6-10)8-16-9-13(7-14)15-11(16)2/h3-6,9H,7-8,14H2,1-2H3
InChIKeyVTRDGYQDKWDULV-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine (CID 82284713) is [2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine is Cc1cccc(Cn2cc(CN)nc2C)c1.
What is the InChIKey of [2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine?
The InChIKey is VTRDGYQDKWDULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-3-5-12(6-10)8-16-9-13(7-14)15-11(16)2/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of [2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine?
[2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 82284713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).