1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one

C13H15N7O2 — CID 36914526

IUPAC1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one
SMILESCc1nnnn1-c1cccc(NCC(=O)N2CCNC2=O)c1
InChIInChI=1S/C13H15N7O2/c1-9-16-17-18-20(9)11-4-2-3-10(7-11)15-8-12(21)19-6-5-14-13(19)22/h2-4,7,15H,5-6,8H2,1H3,(H,14,22)
InChIKeyPMEXPSFRQQZLDM-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.07
Rot. Bonds4

About 1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one

1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one (PubChem CID 36914526) has the molecular formula C13H15N7O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one
PubChem CID36914526
Molecular FormulaC13H15N7O2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one
SMILESCc1nnnn1-c1cccc(NCC(=O)N2CCNC2=O)c1
InChIInChI=1S/C13H15N7O2/c1-9-16-17-18-20(9)11-4-2-3-10(7-11)15-8-12(21)19-6-5-14-13(19)22/h2-4,7,15H,5-6,8H2,1H3,(H,14,22)
InChIKeyPMEXPSFRQQZLDM-UHFFFAOYSA-N
XLogP-0.07
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60562188
1-[3-(5-methyltetrazol-1-yl)phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72875346
N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36913316
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36914785
4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 136528613
N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119733107
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36912952
3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579582
N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 131890339

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one (CID 36914526) is 1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one is Cc1nnnn1-c1cccc(NCC(=O)N2CCNC2=O)c1.
What is the InChIKey of 1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one?
The InChIKey is PMEXPSFRQQZLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2/c1-9-16-17-18-20(9)11-4-2-3-10(7-11)15-8-12(21)19-6-5-14-13(19)22/h2-4,7,15H,5-6,8H2,1H3,(H,14,22).
What are the key properties of 1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one?
1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one has a molecular weight of 301.31 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 36914526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).