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

C26H29N7O2 — CID 67794971

IUPAC4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C2C(=O)CC2CC)c(=O)n1Cc1cnccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C26H29N7O2/c1-3-5-6-21-16-33(24-17(4-2)13-23(24)34)26(35)32(21)15-20-14-27-12-11-22(20)18-7-9-19(10-8-18)25-28-30-31-29-25/h7-12,14,16-17,24H,3-6,13,15H2,1-2H3,(H,28,29,30,31)
InChIKeyYRBFCDHURGXNPB-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.82
Rot. Bonds9

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

4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 67794971) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID67794971
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(C2C(=O)CC2CC)c(=O)n1Cc1cnccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C26H29N7O2/c1-3-5-6-21-16-33(24-17(4-2)13-23(24)34)26(35)32(21)15-20-14-27-12-11-22(20)18-7-9-19(10-8-18)25-28-30-31-29-25/h7-12,14,16-17,24H,3-6,13,15H2,1-2H3,(H,28,29,30,31)
InChIKeyYRBFCDHURGXNPB-UHFFFAOYSA-N
XLogP3.82
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-butyl-1-(2-methyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54342196
4-butyl-1-(2-ethylcyclopropyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681541
4-butyl-1-(2-ethyl-3-oxocyclopropyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681388
2-[4-butyl-2-oxo-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-3-ethylcyclobutane-1-carboxylic acid
CID 54555295
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-methyl-4-oxocyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54371524
2-[4-butyl-2-oxo-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]cyclooctane-1-carboxylic acid
CID 54349908
4-butyl-1-(2,8-diethylcyclooctyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 67809595
4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681547
4-butyl-1-(3-methylbutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 10275385
4-butyl-1-(1-propyltetrazol-5-yl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383803
4-butyl-1-(1-propylimidazol-2-yl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383620

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 67794971) is 4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCCc1cn(C2C(=O)CC2CC)c(=O)n1Cc1cnccc1-c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is YRBFCDHURGXNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-3-5-6-21-16-33(24-17(4-2)13-23(24)34)26(35)32(21)15-20-14-27-12-11-22(20)18-7-9-19(10-8-18)25-28-30-31-29-25/h7-12,14,16-17,24H,3-6,13,15H2,1-2H3,(H,28,29,30,31).
What are the key properties of 4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 471.57 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-ethyl-4-oxocyclobutyl)-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 67794971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).