2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

C15H17N7O3 — CID 70764832

IUPAC2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESCN1C(=O)C(CC(=O)NCc2nnnn2-c2ccccc2)N(C)C1=O
InChIInChI=1S/C15H17N7O3/c1-20-11(14(24)21(2)15(20)25)8-13(23)16-9-12-17-18-19-22(12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,16,23)
InChIKeyVCINXLAICZJWBA-UHFFFAOYSA-N
MW343.35 g/mol
LogP-0.44
Rot. Bonds5

About 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (PubChem CID 70764832) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
PubChem CID70764832
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESCN1C(=O)C(CC(=O)NCc2nnnn2-c2ccccc2)N(C)C1=O
InChIInChI=1S/C15H17N7O3/c1-20-11(14(24)21(2)15(20)25)8-13(23)16-9-12-17-18-19-22(12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,16,23)
InChIKeyVCINXLAICZJWBA-UHFFFAOYSA-N
XLogP-0.44
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (CID 70764832) is 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is CN1C(=O)C(CC(=O)NCc2nnnn2-c2ccccc2)N(C)C1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The InChIKey is VCINXLAICZJWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-20-11(14(24)21(2)15(20)25)8-13(23)16-9-12-17-18-19-22(12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,16,23).
What are the key properties of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide has a molecular weight of 343.35 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 70764832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).