5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

C18H20N4O — CID 122159779

IUPAC5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCOc1ccc(-c2ccc(C)c(NCc3nccn3C)c2)cn1
InChIInChI=1S/C18H20N4O/c1-13-4-5-14(15-6-7-18(23-3)21-11-15)10-16(13)20-12-17-19-8-9-22(17)2/h4-11,20H,12H2,1-3H3
InChIKeyKHNLKMBDYOXGGX-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.41
Rot. Bonds5

About 5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 122159779) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID122159779
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCOc1ccc(-c2ccc(C)c(NCc3nccn3C)c2)cn1
InChIInChI=1S/C18H20N4O/c1-13-4-5-14(15-6-7-18(23-3)21-11-15)10-16(13)20-12-17-19-8-9-22(17)2/h4-11,20H,12H2,1-3H3
InChIKeyKHNLKMBDYOXGGX-UHFFFAOYSA-N
XLogP3.41
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 122159779) is 5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is COc1ccc(-c2ccc(C)c(NCc3nccn3C)c2)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is KHNLKMBDYOXGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-4-5-14(15-6-7-18(23-3)21-11-15)10-16(13)20-12-17-19-8-9-22(17)2/h4-11,20H,12H2,1-3H3.
What are the key properties of 5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 308.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-pyridinyl)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 122159779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).