3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione

C23H26N6O2 — CID 42886271

IUPAC3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
SMILESCCCCn1nnnc1CN1C(=O)NC(c2ccccc2)(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C23H26N6O2/c1-4-5-13-29-20(25-26-27-29)15-28-21(30)23(24-22(28)31,18-9-7-6-8-10-18)19-12-11-16(2)17(3)14-19/h6-12,14H,4-5,13,15H2,1-3H3,(H,24,31)
InChIKeyATGRYLBIZSVBFW-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.09
Rot. Bonds7

About 3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione

3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione (PubChem CID 42886271) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
PubChem CID42886271
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
SMILESCCCCn1nnnc1CN1C(=O)NC(c2ccccc2)(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C23H26N6O2/c1-4-5-13-29-20(25-26-27-29)15-28-21(30)23(24-22(28)31,18-9-7-6-8-10-18)19-12-11-16(2)17(3)14-19/h6-12,14H,4-5,13,15H2,1-3H3,(H,24,31)
InChIKeyATGRYLBIZSVBFW-UHFFFAOYSA-N
XLogP3.09
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione (CID 42886271) is 3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione is CCCCn1nnnc1CN1C(=O)NC(c2ccccc2)(c2ccc(C)c(C)c2)C1=O.
What is the InChIKey of 3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
The InChIKey is ATGRYLBIZSVBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-4-5-13-29-20(25-26-27-29)15-28-21(30)23(24-22(28)31,18-9-7-6-8-10-18)19-12-11-16(2)17(3)14-19/h6-12,14H,4-5,13,15H2,1-3H3,(H,24,31).
What are the key properties of 3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione has a molecular weight of 418.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butyltetrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 42886271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).