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

C20H21N7O — CID 90407203

IUPAC2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
SMILESCC(C)COc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
InChIInChI=1S/C20H21N7O/c1-14(2)12-28-19-6-4-3-5-16(19)10-27-11-18(22-13-27)17-9-15(7-8-21-17)20-23-25-26-24-20/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,24,25,26)
InChIKeyRRBCZBSZMNUAFC-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.21
Rot. Bonds7

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

2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine (PubChem CID 90407203) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
PubChem CID90407203
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
SMILESCC(C)COc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
InChIInChI=1S/C20H21N7O/c1-14(2)12-28-19-6-4-3-5-16(19)10-27-11-18(22-13-27)17-9-15(7-8-21-17)20-23-25-26-24-20/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,24,25,26)
InChIKeyRRBCZBSZMNUAFC-UHFFFAOYSA-N
XLogP3.21
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine (CID 90407203) is 2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine is CC(C)COc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1.
What is the InChIKey of 2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
The InChIKey is RRBCZBSZMNUAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-14(2)12-28-19-6-4-3-5-16(19)10-27-11-18(22-13-27)17-9-15(7-8-21-17)20-23-25-26-24-20/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,24,25,26).
What are the key properties of 2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine?
2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine has a molecular weight of 375.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 90407203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).