5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one

C24H23N7O2 — CID 135997286

IUPAC5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one
SMILESCCCCc1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=O)[nH]c2nc(O)cn12
InChIInChI=1S/C24H23N7O2/c1-2-3-8-20-19(23(33)26-24-25-21(32)14-31(20)24)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-7,9-12,14,32H,2-3,8,13H2,1H3,(H,25,26,33)(H,27,28,29,30)
InChIKeyCOZIYQJARSOFCO-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.51
Rot. Bonds7

About 5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one

5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one (PubChem CID 135997286) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one
PubChem CID135997286
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one
SMILESCCCCc1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=O)[nH]c2nc(O)cn12
InChIInChI=1S/C24H23N7O2/c1-2-3-8-20-19(23(33)26-24-25-21(32)14-31(20)24)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-7,9-12,14,32H,2-3,8,13H2,1H3,(H,25,26,33)(H,27,28,29,30)
InChIKeyCOZIYQJARSOFCO-UHFFFAOYSA-N
XLogP3.51
TPSA124.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-3,7-dione
CID 135744239
2-methyl-4-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrimidin-6-one
CID 135525308
5-butyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3,7-dione
CID 18979028
2-[4-[(5-butyl-2-hydroxy-3-methyl-7-oxo-8H-imidazo[1,2-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid
CID 135976779
3-butyl-1-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,8-dihydropyrazolo[1,2-a]pyridazine-5-carboxylic acid
CID 67840700
2-butyl-5-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrazol-3-one
CID 91934767
1-butyl-8-methyl-3-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-5-carboxylic acid
CID 54332669
N-[6-butyl-2-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-yl]acetamide
CID 154289946
[5-butyl-4-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]methanol
CID 70684421
4-butyl-5-fluoro-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741229
4-butyl-2-methyl-6-methylsulfonyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine
CID 154148882
2-butyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
CID 139626462

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one (CID 135997286) is 5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one is CCCCc1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=O)[nH]c2nc(O)cn12.
What is the InChIKey of 5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one?
The InChIKey is COZIYQJARSOFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-2-3-8-20-19(23(33)26-24-25-21(32)14-31(20)24)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-7,9-12,14,32H,2-3,8,13H2,1H3,(H,25,26,33)(H,27,28,29,30).
What are the key properties of 5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one?
5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one has a molecular weight of 441.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-hydroxy-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-8H-imidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 135997286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).