1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one

C14H16N6O2 — CID 46583150

IUPAC1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one
SMILESCc1ccc(-c2nnn(C(C)C(=O)N3CCNC3=O)n2)cc1
InChIInChI=1S/C14H16N6O2/c1-9-3-5-11(6-4-9)12-16-18-20(17-12)10(2)13(21)19-8-7-15-14(19)22/h3-6,10H,7-8H2,1-2H3,(H,15,22)
InChIKeyLJDXZFZBZJEWES-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.76
Rot. Bonds3

About 1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one

1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one (PubChem CID 46583150) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one
PubChem CID46583150
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one
SMILESCc1ccc(-c2nnn(C(C)C(=O)N3CCNC3=O)n2)cc1
InChIInChI=1S/C14H16N6O2/c1-9-3-5-11(6-4-9)12-16-18-20(17-12)10(2)13(21)19-8-7-15-14(19)22/h3-6,10H,7-8H2,1-2H3,(H,15,22)
InChIKeyLJDXZFZBZJEWES-UHFFFAOYSA-N
XLogP0.76
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one
CID 42981745
1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 84602533
1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 126783528
N-(2-methylcyclohexyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 42982198
1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 111470117
1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8787917
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119413579
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119487364
1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8869687
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]propan-1-one
CID 3188644
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]propan-1-one
CID 3188643
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide
CID 38874295

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one (CID 46583150) is 1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one is Cc1ccc(-c2nnn(C(C)C(=O)N3CCNC3=O)n2)cc1.
What is the InChIKey of 1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one?
The InChIKey is LJDXZFZBZJEWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-9-3-5-11(6-4-9)12-16-18-20(17-12)10(2)13(21)19-8-7-15-14(19)22/h3-6,10H,7-8H2,1-2H3,(H,15,22).
What are the key properties of 1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one?
1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one has a molecular weight of 300.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 46583150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).