3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

C19H16N8O2 — CID 42918844

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cn3ccccc3n2)C1=O
InChIInChI=1S/C19H16N8O2/c1-19(13-5-4-6-15(9-13)27-12-20-23-24-27)17(28)26(18(29)22-19)11-14-10-25-8-3-2-7-16(25)21-14/h2-10,12H,11H2,1H3,(H,22,29)
InChIKeyUIDKKVDMGNXPHN-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.28
Rot. Bonds4

About 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 42918844) has the molecular formula C19H16N8O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
PubChem CID42918844
Molecular FormulaC19H16N8O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cn3ccccc3n2)C1=O
InChIInChI=1S/C19H16N8O2/c1-19(13-5-4-6-15(9-13)27-12-20-23-24-27)17(28)26(18(29)22-19)11-14-10-25-8-3-2-7-16(25)21-14/h2-10,12H,11H2,1H3,(H,22,29)
InChIKeyUIDKKVDMGNXPHN-UHFFFAOYSA-N
XLogP1.28
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40855979
(5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40804493
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41132317
(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41196469
3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918836
(5S)-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41082147
(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41111698
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320332
(5S)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320331
(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione
CID 25345743
(5R)-3-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41196473
(5S)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 7131300

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (CID 42918844) is 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is CC1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cn3ccccc3n2)C1=O.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is UIDKKVDMGNXPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O2/c1-19(13-5-4-6-15(9-13)27-12-20-23-24-27)17(28)26(18(29)22-19)11-14-10-25-8-3-2-7-16(25)21-14/h2-10,12H,11H2,1H3,(H,22,29).
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 388.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42918844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).