1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one

C22H27N7O2 — CID 5278488

IUPAC1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCOc1ccc(-c2nnn(C)n2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C22H27N7O2/c1-17(9-13-28-14-15-29(22(28)30)19-7-11-23-12-8-19)10-16-31-20-5-3-18(4-6-20)21-24-26-27(2)25-21/h3-8,11-12,17H,9-10,13-16H2,1-2H3
InChIKeyUMBVCTSKESXJDE-UHFFFAOYSA-N
MW421.51 g/mol
LogP3.01
Rot. Bonds9

About 1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one

1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 5278488) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID5278488
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESCC(CCOc1ccc(-c2nnn(C)n2)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C22H27N7O2/c1-17(9-13-28-14-15-29(22(28)30)19-7-11-23-12-8-19)10-16-31-20-5-3-18(4-6-20)21-24-26-27(2)25-21/h3-8,11-12,17H,9-10,13-16H2,1-2H3
InChIKeyUMBVCTSKESXJDE-UHFFFAOYSA-N
XLogP3.01
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one (CID 5278488) is 1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is CC(CCOc1ccc(-c2nnn(C)n2)cc1)CCN1CCN(c2ccncc2)C1=O.
What is the InChIKey of 1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is UMBVCTSKESXJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-17(9-13-28-14-15-29(22(28)30)19-7-11-23-12-8-19)10-16-31-20-5-3-18(4-6-20)21-24-26-27(2)25-21/h3-8,11-12,17H,9-10,13-16H2,1-2H3.
What are the key properties of 1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 421.51 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 5278488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).