5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine

C29H26N4O — CID 72544650

IUPAC5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)nc1-c1ccccc1
InChIInChI=1S/C29H26N4O/c1-34-27-16-17-28(32-29(27)25-10-6-3-7-11-25)31-19-26-18-30-21-33(26)20-22-12-14-24(15-13-22)23-8-4-2-5-9-23/h2-18,21H,19-20H2,1H3,(H,31,32)
InChIKeyVPCHTNHRHPXACF-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.28
Rot. Bonds8

About 5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine

5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine (PubChem CID 72544650) has the molecular formula C29H26N4O and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine
PubChem CID72544650
Molecular FormulaC29H26N4O
Molecular Weight446.55 g/mol
Exact Mass446.21
IUPAC Name5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)nc1-c1ccccc1
InChIInChI=1S/C29H26N4O/c1-34-27-16-17-28(32-29(27)25-10-6-3-7-11-25)31-19-26-18-30-21-33(26)20-22-12-14-24(15-13-22)23-8-4-2-5-9-23/h2-18,21H,19-20H2,1H3,(H,31,32)
InChIKeyVPCHTNHRHPXACF-UHFFFAOYSA-N
XLogP6.28
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine (CID 72544650) is 5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine is COc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)nc1-c1ccccc1.
What is the InChIKey of 5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine?
The InChIKey is VPCHTNHRHPXACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O/c1-34-27-16-17-28(32-29(27)25-10-6-3-7-11-25)31-19-26-18-30-21-33(26)20-22-12-14-24(15-13-22)23-8-4-2-5-9-23/h2-18,21H,19-20H2,1H3,(H,31,32).
What are the key properties of 5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine?
5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine has a molecular weight of 446.55 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 72544650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).