2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine

C19H19N7 — CID 90406597

IUPAC2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
SMILESCC(C)C(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
InChIInChI=1S/C19H19N7/c1-13(2)18(14-6-4-3-5-7-14)26-11-17(21-12-26)16-10-15(8-9-20-16)19-22-24-25-23-19/h3-13,18H,1-2H3,(H,22,23,24,25)
InChIKeyRNHDGJROFDMRJA-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.37
Rot. Bonds5

About 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine

2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine (PubChem CID 90406597) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
PubChem CID90406597
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
SMILESCC(C)C(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
InChIInChI=1S/C19H19N7/c1-13(2)18(14-6-4-3-5-7-14)26-11-17(21-12-26)16-10-15(8-9-20-16)19-22-24-25-23-19/h3-13,18H,1-2H3,(H,22,23,24,25)
InChIKeyRNHDGJROFDMRJA-UHFFFAOYSA-N
XLogP3.37
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine (CID 90406597) is 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine is CC(C)C(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1.
What is the InChIKey of 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The InChIKey is RNHDGJROFDMRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-13(2)18(14-6-4-3-5-7-14)26-11-17(21-12-26)16-10-15(8-9-20-16)19-22-24-25-23-19/h3-13,18H,1-2H3,(H,22,23,24,25).
What are the key properties of 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine has a molecular weight of 345.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 90406597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).