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

C18H17N7 — CID 90408135

IUPAC2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
SMILESCCC(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
InChIInChI=1S/C18H17N7/c1-2-17(13-6-4-3-5-7-13)25-11-16(20-12-25)15-10-14(8-9-19-15)18-21-23-24-22-18/h3-12,17H,2H2,1H3,(H,21,22,23,24)
InChIKeyRFGNJZHABKKPLK-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.12
Rot. Bonds5

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

2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine (PubChem CID 90408135) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
PubChem CID90408135
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
SMILESCCC(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
InChIInChI=1S/C18H17N7/c1-2-17(13-6-4-3-5-7-13)25-11-16(20-12-25)15-10-14(8-9-19-15)18-21-23-24-22-18/h3-12,17H,2H2,1H3,(H,21,22,23,24)
InChIKeyRFGNJZHABKKPLK-UHFFFAOYSA-N
XLogP3.12
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine (CID 90408135) is 2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine is CCC(c1ccccc1)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1.
What is the InChIKey of 2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The InChIKey is RFGNJZHABKKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-2-17(13-6-4-3-5-7-13)25-11-16(20-12-25)15-10-14(8-9-19-15)18-21-23-24-22-18/h3-12,17H,2H2,1H3,(H,21,22,23,24).
What are the key properties of 2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine has a molecular weight of 331.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylpropyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 90408135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).