5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine

C18H19N3 — CID 57329942

IUPAC5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine
SMILESCC(C)C(c1ccc(-c2ccccc2)nc1)n1ccnc1
InChIInChI=1S/C18H19N3/c1-14(2)18(21-11-10-19-13-21)16-8-9-17(20-12-16)15-6-4-3-5-7-15/h3-14,18H,1-2H3
InChIKeyOHJKAZOYLPCFSM-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.19
Rot. Bonds4

About 5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine

5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine (PubChem CID 57329942) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine.

Molecular Properties

Compound Name5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine
PubChem CID57329942
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine
SMILESCC(C)C(c1ccc(-c2ccccc2)nc1)n1ccnc1
InChIInChI=1S/C18H19N3/c1-14(2)18(21-11-10-19-13-21)16-8-9-17(20-12-16)15-6-4-3-5-7-15/h3-14,18H,1-2H3
InChIKeyOHJKAZOYLPCFSM-UHFFFAOYSA-N
XLogP4.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine?
The IUPAC name of 5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine (CID 57329942) is 5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine.
What is the SMILES notation for 5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine?
The canonical SMILES for 5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine is CC(C)C(c1ccc(-c2ccccc2)nc1)n1ccnc1.
What is the InChIKey of 5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine?
The InChIKey is OHJKAZOYLPCFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14(2)18(21-11-10-19-13-21)16-8-9-17(20-12-16)15-6-4-3-5-7-15/h3-14,18H,1-2H3.
What are the key properties of 5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine?
5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine has a molecular weight of 277.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-imidazol-1-yl-2-methylpropyl)-2-phenylpyridine is sourced from PubChem (CID 57329942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).