2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one

C24H23N7O — CID 67882947

IUPAC2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H23N7O/c1-2-3-12-21-26-20-13-14-25-24(32)22(20)31(21)15-16-8-4-5-9-17(16)18-10-6-7-11-19(18)23-27-29-30-28-23/h4-11,13-14H,2-3,12,15H2,1H3,(H,25,32)(H,27,28,29,30)
InChIKeyBXZZYAXPWOKODH-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.96
Rot. Bonds7

About 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one

2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 67882947) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID67882947
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H23N7O/c1-2-3-12-21-26-20-13-14-25-24(32)22(20)31(21)15-16-8-4-5-9-17(16)18-10-6-7-11-19(18)23-27-29-30-28-23/h4-11,13-14H,2-3,12,15H2,1H3,(H,25,32)(H,27,28,29,30)
InChIKeyBXZZYAXPWOKODH-UHFFFAOYSA-N
XLogP3.96
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one with MolForge

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Related Compounds

2-butyl-4-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 54252997
2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10385241
4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid
CID 19349828
2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 19349843
2-[[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 10460419
2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15355268
3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 67846397
methyl 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 14962909
8-butyl-3-ethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54172816
N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide
CID 10529180
5-butyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,4,6,9-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-2,8-dione
CID 19391249
2-butyl-4-(2-phenylethyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 67947189

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one (CID 67882947) is 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one is CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is BXZZYAXPWOKODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-2-3-12-21-26-20-13-14-25-24(32)22(20)31(21)15-16-8-4-5-9-17(16)18-10-6-7-11-19(18)23-27-29-30-28-23/h4-11,13-14H,2-3,12,15H2,1H3,(H,25,32)(H,27,28,29,30).
What are the key properties of 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one?
2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 425.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 67882947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).