3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine

C16H16N4O — CID 114716675

IUPAC3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESCOc1ccccc1Cn1cncc1-c1cccnc1N
InChIInChI=1S/C16H16N4O/c1-21-15-7-3-2-5-12(15)10-20-11-18-9-14(20)13-6-4-8-19-16(13)17/h2-9,11H,10H2,1H3,(H2,17,19)
InChIKeyWETRCATXUUJEJE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.58
Rot. Bonds4

About 3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine

3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 114716675) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
PubChem CID114716675
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESCOc1ccccc1Cn1cncc1-c1cccnc1N
InChIInChI=1S/C16H16N4O/c1-21-15-7-3-2-5-12(15)10-20-11-18-9-14(20)13-6-4-8-19-16(13)17/h2-9,11H,10H2,1H3,(H2,17,19)
InChIKeyWETRCATXUUJEJE-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

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Related Compounds

3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114719802
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 106410293
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 114703081
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
CID 114721949
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine
CID 114158854
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine (CID 114716675) is 3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine is COc1ccccc1Cn1cncc1-c1cccnc1N.
What is the InChIKey of 3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is WETRCATXUUJEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-15-7-3-2-5-12(15)10-20-11-18-9-14(20)13-6-4-8-19-16(13)17/h2-9,11H,10H2,1H3,(H2,17,19).
What are the key properties of 3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine?
3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine 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-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114716675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).