3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline

C16H16N4O — CID 10016509

IUPAC3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1nc(-c2cccnc2)c(C)[nH]1
InChIInChI=1S/C16H16N4O/c1-10-15(11-4-3-7-18-9-11)20-16(19-10)13-6-5-12(17)8-14(13)21-2/h3-9H,17H2,1-2H3,(H,19,20)
InChIKeyPBFMYDIMFVZMLC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.04
Rot. Bonds3

About 3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline

3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline (PubChem CID 10016509) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline
PubChem CID10016509
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1nc(-c2cccnc2)c(C)[nH]1
InChIInChI=1S/C16H16N4O/c1-10-15(11-4-3-7-18-9-11)20-16(19-10)13-6-5-12(17)8-14(13)21-2/h3-9H,17H2,1-2H3,(H,19,20)
InChIKeyPBFMYDIMFVZMLC-UHFFFAOYSA-N
XLogP3.04
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline?
The IUPAC name of 3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline (CID 10016509) is 3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline?
The canonical SMILES for 3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline is COc1cc(N)ccc1-c1nc(-c2cccnc2)c(C)[nH]1.
What is the InChIKey of 3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline?
The InChIKey is PBFMYDIMFVZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-15(11-4-3-7-18-9-11)20-16(19-10)13-6-5-12(17)8-14(13)21-2/h3-9H,17H2,1-2H3,(H,19,20).
What are the key properties of 3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline?
3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline has a molecular weight of 280.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 10016509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).