N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine

C23H22N4O — CID 72544649

IUPACN-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine
SMILESCOc1ccc(NCc2cncn2Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H22N4O/c1-28-21-12-13-22(26-23(21)19-10-6-3-7-11-19)25-15-20-14-24-17-27(20)16-18-8-4-2-5-9-18/h2-14,17H,15-16H2,1H3,(H,25,26)
InChIKeyGBJIHPXPJHYADL-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.61
Rot. Bonds7

About N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine

N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine (PubChem CID 72544649) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine
PubChem CID72544649
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine
SMILESCOc1ccc(NCc2cncn2Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H22N4O/c1-28-21-12-13-22(26-23(21)19-10-6-3-7-11-19)25-15-20-14-24-17-27(20)16-18-8-4-2-5-9-18/h2-14,17H,15-16H2,1H3,(H,25,26)
InChIKeyGBJIHPXPJHYADL-UHFFFAOYSA-N
XLogP4.61
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine?
The IUPAC name of N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine (CID 72544649) is N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine.
What is the SMILES notation for N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine?
The canonical SMILES for N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine is COc1ccc(NCc2cncn2Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine?
The InChIKey is GBJIHPXPJHYADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-28-21-12-13-22(26-23(21)19-10-6-3-7-11-19)25-15-20-14-24-17-27(20)16-18-8-4-2-5-9-18/h2-14,17H,15-16H2,1H3,(H,25,26).
What are the key properties of N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine?
N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine has a molecular weight of 370.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzylimidazol-4-yl)methyl]-5-methoxy-6-phenylpyridin-2-amine is sourced from PubChem (CID 72544649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).