3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one

C28H26N8O — CID 21479139

IUPAC3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCc1nc2ccc(C3=NNC(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H26N8O/c1-2-5-26-29-24-13-12-20(23-14-15-27(37)31-30-23)16-25(24)36(26)17-18-8-10-19(11-9-18)21-6-3-4-7-22(21)28-32-34-35-33-28/h3-4,6-13,16H,2,5,14-15,17H2,1H3,(H,31,37)(H,32,33,34,35)
InChIKeySAZDYCOZFNCABH-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.50
Rot. Bonds7

About 3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one

3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 21479139) has the molecular formula C28H26N8O and a molecular weight of 490.57 g/mol. Its IUPAC name is 3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID21479139
Molecular FormulaC28H26N8O
Molecular Weight490.57 g/mol
Exact Mass490.22
IUPAC Name3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCc1nc2ccc(C3=NNC(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H26N8O/c1-2-5-26-29-24-13-12-20(23-14-15-27(37)31-30-23)16-25(24)36(26)17-18-8-10-19(11-9-18)21-6-3-4-7-22(21)28-32-34-35-33-28/h3-4,6-13,16H,2,5,14-15,17H2,1H3,(H,31,37)(H,32,33,34,35)
InChIKeySAZDYCOZFNCABH-UHFFFAOYSA-N
XLogP4.50
TPSA113.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 21479122
2-propyl-6-pyrrolidin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 54107911
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
2-[4-[[4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 19964728
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418019
4-methyl-2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 10480536
5-[2-[4-[[4-chloro-5-(propan-2-yloxymethyl)-2-propylimidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 70973303
1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one
CID 139691089
7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 68722341
6-ethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole
CID 57133212
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
3-(2-phenylethyl)-8-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911997

Frequently Asked Questions

What is the IUPAC name of 3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 21479139) is 3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one is CCCc1nc2ccc(C3=NNC(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is SAZDYCOZFNCABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O/c1-2-5-26-29-24-13-12-20(23-14-15-27(37)31-30-23)16-25(24)36(26)17-18-8-10-19(11-9-18)21-6-3-4-7-22(21)28-32-34-35-33-28/h3-4,6-13,16H,2,5,14-15,17H2,1H3,(H,31,37)(H,32,33,34,35).
What are the key properties of 3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 490.57 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 21479139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).