6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine

C22H21N5O — CID 68631964

IUPAC6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine
SMILESCOc1cc(Nc2cccc(Nc3ccccc3)n2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C22H21N5O/c1-15-14-23-22(24-15)18-12-11-17(13-19(18)28-2)26-21-10-6-9-20(27-21)25-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,23,24)(H2,25,26,27)
InChIKeyINIMNQFBXGUVBB-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.28
Rot. Bonds6

About 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine

6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine (PubChem CID 68631964) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine
PubChem CID68631964
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine
SMILESCOc1cc(Nc2cccc(Nc3ccccc3)n2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C22H21N5O/c1-15-14-23-22(24-15)18-12-11-17(13-19(18)28-2)26-21-10-6-9-20(27-21)25-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,23,24)(H2,25,26,27)
InChIKeyINIMNQFBXGUVBB-UHFFFAOYSA-N
XLogP5.28
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine?
The IUPAC name of 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine (CID 68631964) is 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine is COc1cc(Nc2cccc(Nc3ccccc3)n2)ccc1-c1ncc(C)[nH]1.
What is the InChIKey of 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine?
The InChIKey is INIMNQFBXGUVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-14-23-22(24-15)18-12-11-17(13-19(18)28-2)26-21-10-6-9-20(27-21)25-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,23,24)(H2,25,26,27).
What are the key properties of 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine?
6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine has a molecular weight of 371.44 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine is sourced from PubChem (CID 68631964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).