3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid

C19H22N4O4 — CID 171712172

IUPAC3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid
SMILESCOc1cc(C)cc(-c2nccn2Cc2cccnc2N)c1OC.O=CO
InChIInChI=1S/C18H20N4O2.CH2O2/c1-12-9-14(16(24-3)15(10-12)23-2)18-21-7-8-22(18)11-13-5-4-6-20-17(13)19;2-1-3/h4-10H,11H2,1-3H3,(H2,19,20);1H,(H,2,3)
InChIKeyBGZCHHAEMKHBGM-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.60
Rot. Bonds5

About 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid

3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid (PubChem CID 171712172) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid.

Molecular Properties

Compound Name3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid
PubChem CID171712172
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid
SMILESCOc1cc(C)cc(-c2nccn2Cc2cccnc2N)c1OC.O=CO
InChIInChI=1S/C18H20N4O2.CH2O2/c1-12-9-14(16(24-3)15(10-12)23-2)18-21-7-8-22(18)11-13-5-4-6-20-17(13)19;2-1-3/h4-10H,11H2,1-3H3,(H2,19,20);1H,(H,2,3)
InChIKeyBGZCHHAEMKHBGM-UHFFFAOYSA-N
XLogP2.60
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid?
The IUPAC name of 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid (CID 171712172) is 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid.
What is the SMILES notation for 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid?
The canonical SMILES for 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid is COc1cc(C)cc(-c2nccn2Cc2cccnc2N)c1OC.O=CO.
What is the InChIKey of 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid?
The InChIKey is BGZCHHAEMKHBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2.CH2O2/c1-12-9-14(16(24-3)15(10-12)23-2)18-21-7-8-22(18)11-13-5-4-6-20-17(13)19;2-1-3/h4-10H,11H2,1-3H3,(H2,19,20);1H,(H,2,3).
What are the key properties of 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid?
3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid has a molecular weight of 370.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid is sourced from PubChem (CID 171712172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).