3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline

C16H16N4O — CID 63985676

IUPAC3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline
SMILESCOc1cccc(Cn2ccnc2-c2cccc(N)c2)n1
InChIInChI=1S/C16H16N4O/c1-21-15-7-3-6-14(19-15)11-20-9-8-18-16(20)12-4-2-5-13(17)10-12/h2-10H,11,17H2,1H3
InChIKeyFAQJYRLGKXDPKL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.58
Rot. Bonds4

About 3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline

3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline (PubChem CID 63985676) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline
PubChem CID63985676
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline
SMILESCOc1cccc(Cn2ccnc2-c2cccc(N)c2)n1
InChIInChI=1S/C16H16N4O/c1-21-15-7-3-6-14(19-15)11-20-9-8-18-16(20)12-4-2-5-13(17)10-12/h2-10H,11,17H2,1H3
InChIKeyFAQJYRLGKXDPKL-UHFFFAOYSA-N
XLogP2.58
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline?
The IUPAC name of 3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline (CID 63985676) is 3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline.
What is the SMILES notation for 3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline?
The canonical SMILES for 3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline is COc1cccc(Cn2ccnc2-c2cccc(N)c2)n1.
What is the InChIKey of 3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline?
The InChIKey is FAQJYRLGKXDPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-15-7-3-6-14(19-15)11-20-9-8-18-16(20)12-4-2-5-13(17)10-12/h2-10H,11,17H2,1H3.
What are the key properties of 3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline?
3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline has a molecular weight of 280.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline is sourced from PubChem (CID 63985676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).