4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one

C26H31N7O — CID 139681547

IUPAC4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C2CCC2CC)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C26H31N7O/c1-3-5-8-20-17-33(24-12-11-18(24)4-2)26(34)32(20)16-19-15-27-14-13-21(19)22-9-6-7-10-23(22)25-28-30-31-29-25/h6-7,9-10,13-15,17-18,24H,3-5,8,11-12,16H2,1-2H3,(H,28,29,30,31)
InChIKeyKGQIPRFHRYPGJP-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.64
Rot. Bonds9

About 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one

4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 139681547) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID139681547
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC Name4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C2CCC2CC)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C26H31N7O/c1-3-5-8-20-17-33(24-12-11-18(24)4-2)26(34)32(20)16-19-15-27-14-13-21(19)22-9-6-7-10-23(22)25-28-30-31-29-25/h6-7,9-10,13-15,17-18,24H,3-5,8,11-12,16H2,1-2H3,(H,28,29,30,31)
InChIKeyKGQIPRFHRYPGJP-UHFFFAOYSA-N
XLogP4.64
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one with MolForge

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Related Compounds

4-butyl-1-(2,8-diethylcyclooctyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 67809595
1-(2-acetyl-7-ethylcycloheptyl)-4-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54188046
4-butyl-1-(2-methyl-4-oxocyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54371524
4-butyl-1-(2-ethyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54156738
4-butyl-1-(2-methyl-5-propan-2-ylcyclopentyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54521182
4-butyl-1-(2-methyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54388497
4-butyl-1-(2-ethylcyclopropyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681541
1-(2-acetyl-3-methylcyclopropyl)-4-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681400
4-butyl-1-(2-ethylcyclooctyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681502
1-(2-acetyl-8-propan-2-ylcyclooctyl)-4-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54511825
4-butyl-1-(2-propan-2-ylcyclooctyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681521
4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 67794971

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 139681547) is 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCCc1cn(C2CCC2CC)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is KGQIPRFHRYPGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O/c1-3-5-8-20-17-33(24-12-11-18(24)4-2)26(34)32(20)16-19-15-27-14-13-21(19)22-9-6-7-10-23(22)25-28-30-31-29-25/h6-7,9-10,13-15,17-18,24H,3-5,8,11-12,16H2,1-2H3,(H,28,29,30,31).
What are the key properties of 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 457.58 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 139681547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).