2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one

C23H28N6O — CID 164616479

IUPAC2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one
SMILESCCCCC1NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H28N6O/c1-4-5-10-20-24-23(2,3)22(30)29(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21-25-27-28-26-21/h6-9,11-14,20,24H,4-5,10,15H2,1-3H3,(H,25,26,27,28)
InChIKeyGGJHROCBQKSZQF-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.76
Rot. Bonds7

About 2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one

2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one (PubChem CID 164616479) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one
PubChem CID164616479
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one
SMILESCCCCC1NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H28N6O/c1-4-5-10-20-24-23(2,3)22(30)29(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21-25-27-28-26-21/h6-9,11-14,20,24H,4-5,10,15H2,1-3H3,(H,25,26,27,28)
InChIKeyGGJHROCBQKSZQF-UHFFFAOYSA-N
XLogP3.76
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one?
The IUPAC name of 2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one (CID 164616479) is 2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one.
What is the SMILES notation for 2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one?
The canonical SMILES for 2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one is CCCCC1NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one?
The InChIKey is GGJHROCBQKSZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-4-5-10-20-24-23(2,3)22(30)29(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21-25-27-28-26-21/h6-9,11-14,20,24H,4-5,10,15H2,1-3H3,(H,25,26,27,28).
What are the key properties of 2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one?
2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one has a molecular weight of 404.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,5-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-4-one is sourced from PubChem (CID 164616479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).