1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one

C12H11ClN6O3 — CID 41402611

IUPAC1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)N1CCNC1=O
InChIInChI=1S/C12H11ClN6O3/c13-8-3-1-2-4-9(8)19-12(22)18(15-16-19)7-10(20)17-6-5-14-11(17)21/h1-4H,5-7H2,(H,14,21)
InChIKeySCOLYLHYSSULAI-UHFFFAOYSA-N
MW322.71 g/mol
LogP-0.37
Rot. Bonds3

About 1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one

1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one (PubChem CID 41402611) has the molecular formula C12H11ClN6O3 and a molecular weight of 322.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one
PubChem CID41402611
Molecular FormulaC12H11ClN6O3
Molecular Weight322.71 g/mol
Exact Mass322.06
IUPAC Name1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)N1CCNC1=O
InChIInChI=1S/C12H11ClN6O3/c13-8-3-1-2-4-9(8)19-12(22)18(15-16-19)7-10(20)17-6-5-14-11(17)21/h1-4H,5-7H2,(H,14,21)
InChIKeySCOLYLHYSSULAI-UHFFFAOYSA-N
XLogP-0.37
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one
CID 24578921
1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide
CID 43058544
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide
CID 41402404
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37238121
1-[2-(1-adamantyl)-2-oxoethyl]-4-(2-chlorophenyl)tetrazol-5-one
CID 41402474
1-(2-chlorophenyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]tetrazol-5-one
CID 24623009
1-(2-chlorophenyl)-4-(morpholin-4-ylmethyl)tetrazol-5-one
CID 9193349
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2-cyanoethyl)-N-methylacetamide
CID 46583611
1-(2-chlorophenyl)-4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]tetrazol-5-one
CID 41402586
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 39016445
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 24578960
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 37238219

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one (CID 41402611) is 1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one is O=C(Cn1nnn(-c2ccccc2Cl)c1=O)N1CCNC1=O.
What is the InChIKey of 1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one?
The InChIKey is SCOLYLHYSSULAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6O3/c13-8-3-1-2-4-9(8)19-12(22)18(15-16-19)7-10(20)17-6-5-14-11(17)21/h1-4H,5-7H2,(H,14,21).
What are the key properties of 1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one?
1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one has a molecular weight of 322.71 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one is sourced from PubChem (CID 41402611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).