2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid

C17H18N4O2 — CID 163338008

IUPAC2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid
SMILESCc1cc(C)c(Cn2ccnc2-c2ccncc2)cn1.O=CO
InChIInChI=1S/C16H16N4.CH2O2/c1-12-9-13(2)19-10-15(12)11-20-8-7-18-16(20)14-3-5-17-6-4-14;2-1-3/h3-10H,11H2,1-2H3;1H,(H,2,3)
InChIKeySMMJZXHGDMQQRY-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.71
Rot. Bonds3

About 2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid

2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid (PubChem CID 163338008) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid.

Molecular Properties

Compound Name2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid
PubChem CID163338008
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid
SMILESCc1cc(C)c(Cn2ccnc2-c2ccncc2)cn1.O=CO
InChIInChI=1S/C16H16N4.CH2O2/c1-12-9-13(2)19-10-15(12)11-20-8-7-18-16(20)14-3-5-17-6-4-14;2-1-3/h3-10H,11H2,1-2H3;1H,(H,2,3)
InChIKeySMMJZXHGDMQQRY-UHFFFAOYSA-N
XLogP2.71
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid?
The IUPAC name of 2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid (CID 163338008) is 2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid.
What is the SMILES notation for 2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid?
The canonical SMILES for 2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid is Cc1cc(C)c(Cn2ccnc2-c2ccncc2)cn1.O=CO.
What is the InChIKey of 2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid?
The InChIKey is SMMJZXHGDMQQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4.CH2O2/c1-12-9-13(2)19-10-15(12)11-20-8-7-18-16(20)14-3-5-17-6-4-14;2-1-3/h3-10H,11H2,1-2H3;1H,(H,2,3).
What are the key properties of 2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid?
2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid has a molecular weight of 310.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid is sourced from PubChem (CID 163338008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).